---
_id: '22259'
article_number: '043012'
author:
- first_name: V
full_name: Roman-Rodriguez, V
last_name: Roman-Rodriguez
- first_name: Benjamin
full_name: Brecht, Benjamin
id: '27150'
last_name: Brecht
orcid: '0000-0003-4140-0556 '
- first_name: K
full_name: Srinivasan, K
last_name: Srinivasan
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
- first_name: N
full_name: Treps, N
last_name: Treps
- first_name: E
full_name: Diamanti, E
last_name: Diamanti
- first_name: V
full_name: Parigi, V
last_name: Parigi
citation:
ama: Roman-Rodriguez V, Brecht B, Srinivasan K, et al. Continuous variable multimode
quantum states via symmetric group velocity matching. New Journal of Physics.
2021;23. doi:10.1088/1367-2630/abef96
apa: Roman-Rodriguez, V., Brecht, B., Srinivasan, K., Silberhorn, C., Treps, N.,
Diamanti, E., & Parigi, V. (2021). Continuous variable multimode quantum states
via symmetric group velocity matching. New Journal of Physics, 23,
Article 043012. https://doi.org/10.1088/1367-2630/abef96
bibtex: '@article{Roman-Rodriguez_Brecht_Srinivasan_Silberhorn_Treps_Diamanti_Parigi_2021,
title={Continuous variable multimode quantum states via symmetric group velocity
matching}, volume={23}, DOI={10.1088/1367-2630/abef96},
number={043012}, journal={New Journal of Physics}, author={Roman-Rodriguez, V
and Brecht, Benjamin and Srinivasan, K and Silberhorn, Christine and Treps, N
and Diamanti, E and Parigi, V}, year={2021} }'
chicago: Roman-Rodriguez, V, Benjamin Brecht, K Srinivasan, Christine Silberhorn,
N Treps, E Diamanti, and V Parigi. “Continuous Variable Multimode Quantum States
via Symmetric Group Velocity Matching.” New Journal of Physics 23 (2021).
https://doi.org/10.1088/1367-2630/abef96.
ieee: 'V. Roman-Rodriguez et al., “Continuous variable multimode quantum
states via symmetric group velocity matching,” New Journal of Physics,
vol. 23, Art. no. 043012, 2021, doi: 10.1088/1367-2630/abef96.'
mla: Roman-Rodriguez, V., et al. “Continuous Variable Multimode Quantum States via
Symmetric Group Velocity Matching.” New Journal of Physics, vol. 23, 043012,
2021, doi:10.1088/1367-2630/abef96.
short: V. Roman-Rodriguez, B. Brecht, K. Srinivasan, C. Silberhorn, N. Treps, E.
Diamanti, V. Parigi, New Journal of Physics 23 (2021).
date_created: 2021-05-26T11:14:05Z
date_updated: 2022-05-30T15:26:21Z
department:
- _id: '15'
- _id: '288'
- _id: '623'
doi: 10.1088/1367-2630/abef96
intvolume: ' 23'
language:
- iso: eng
publication: New Journal of Physics
publication_identifier:
issn:
- 1367-2630
publication_status: published
status: public
title: Continuous variable multimode quantum states via symmetric group velocity matching
type: journal_article
user_id: '27150'
volume: 23
year: '2021'
...
---
_id: '33008'
author:
- first_name: Helena
full_name: Ludwig-Walz, Helena
last_name: Ludwig-Walz
- first_name: Juliana
full_name: Nyasordzi, Juliana
last_name: Nyasordzi
- first_name: Katharina S.
full_name: Weber, Katharina S.
last_name: Weber
- first_name: Anette
full_name: Buyken, Anette
id: '65985'
last_name: Buyken
- first_name: Anja
full_name: Kroke, Anja
last_name: Kroke
citation:
ama: 'Ludwig-Walz H, Nyasordzi J, Weber KS, Buyken A, Kroke A. Maternal pregnancy
weight or gestational weight gain and offspring’s blood pressure: A systematic
review. Nutrition, Metabolism and Cardiovascular Diseases. 2021;32(4):833-852.
doi:10.1016/j.numecd.2021.11.011'
apa: 'Ludwig-Walz, H., Nyasordzi, J., Weber, K. S., Buyken, A., & Kroke, A.
(2021). Maternal pregnancy weight or gestational weight gain and offspring’s blood
pressure: A systematic review. Nutrition, Metabolism and Cardiovascular Diseases,
32(4), 833–852. https://doi.org/10.1016/j.numecd.2021.11.011'
bibtex: '@article{Ludwig-Walz_Nyasordzi_Weber_Buyken_Kroke_2021, title={Maternal
pregnancy weight or gestational weight gain and offspring’s blood pressure: A
systematic review}, volume={32}, DOI={10.1016/j.numecd.2021.11.011},
number={4}, journal={Nutrition, Metabolism and Cardiovascular Diseases}, publisher={Elsevier
BV}, author={Ludwig-Walz, Helena and Nyasordzi, Juliana and Weber, Katharina S.
and Buyken, Anette and Kroke, Anja}, year={2021}, pages={833–852} }'
chicago: 'Ludwig-Walz, Helena, Juliana Nyasordzi, Katharina S. Weber, Anette Buyken,
and Anja Kroke. “Maternal Pregnancy Weight or Gestational Weight Gain and Offspring’s
Blood Pressure: A Systematic Review.” Nutrition, Metabolism and Cardiovascular
Diseases 32, no. 4 (2021): 833–52. https://doi.org/10.1016/j.numecd.2021.11.011.'
ieee: 'H. Ludwig-Walz, J. Nyasordzi, K. S. Weber, A. Buyken, and A. Kroke, “Maternal
pregnancy weight or gestational weight gain and offspring’s blood pressure: A
systematic review,” Nutrition, Metabolism and Cardiovascular Diseases,
vol. 32, no. 4, pp. 833–852, 2021, doi: 10.1016/j.numecd.2021.11.011.'
mla: 'Ludwig-Walz, Helena, et al. “Maternal Pregnancy Weight or Gestational Weight
Gain and Offspring’s Blood Pressure: A Systematic Review.” Nutrition, Metabolism
and Cardiovascular Diseases, vol. 32, no. 4, Elsevier BV, 2021, pp. 833–52,
doi:10.1016/j.numecd.2021.11.011.'
short: H. Ludwig-Walz, J. Nyasordzi, K.S. Weber, A. Buyken, A. Kroke, Nutrition,
Metabolism and Cardiovascular Diseases 32 (2021) 833–852.
date_created: 2022-08-18T10:34:46Z
date_updated: 2022-08-18T10:41:47Z
department:
- _id: '17'
- _id: '22'
- _id: '571'
doi: 10.1016/j.numecd.2021.11.011
intvolume: ' 32'
issue: '4'
keyword:
- Cardiology and Cardiovascular Medicine
- Nutrition and Dietetics
- Endocrinology
- Diabetes and Metabolism
- Medicine (miscellaneous)
language:
- iso: eng
page: 833-852
publication: Nutrition, Metabolism and Cardiovascular Diseases
publication_identifier:
issn:
- 0939-4753
publication_status: published
publisher: Elsevier BV
status: public
title: 'Maternal pregnancy weight or gestational weight gain and offspring''s blood
pressure: A systematic review'
type: journal_article
user_id: '61597'
volume: 32
year: '2021'
...
---
_id: '32323'
abstract:
- lang: eng
text: Genetic correlations suggest a coexisting genetic predisposition to
both low leptin levels and risk for anorexia nervosa (AN). To investigate the
causality and direction of these associations, we performed bidirectional two-sample
Mendelian randomization (MR) analyses using data of the most recent genome-wide
association study (GWAS) for AN and both a GWAS and an exome-wide-association-study
(EWAS) for leptin levels. Most MR methods with genetic instruments from GWAS showed
a causal effect of lower leptin levels on higher risk of AN (e.g. IVW b = −0.923,
p = 1.5 × 10−4). Because most
patients with AN are female, we additionally performed analyses using leptin GWAS
data of females only. Again, there was a significant effect of leptin levels on
the risk of AN (e.g. IVW b = −0.826, p = 1.1 × 10−04).
MR with genetic instruments from EWAS showed no overall effect of leptin levels
on the risk for AN. For the opposite direction, MR revealed no causal effect of
AN on leptin levels. If our results are confirmed in extended GWAS data sets,
a low endogenous leptin synthesis represents a risk factor for developing AN.
author:
- first_name: Triinu
full_name: Peters, Triinu
last_name: Peters
- first_name: Jochen
full_name: Antel, Jochen
last_name: Antel
- first_name: Roaa
full_name: Naaresh, Roaa
last_name: Naaresh
- first_name: Björn-Hergen
full_name: Laabs, Björn-Hergen
last_name: Laabs
- first_name: Manuel
full_name: Föcker, Manuel
last_name: Föcker
- first_name: Nicola
full_name: Albers, Nicola
last_name: Albers
- first_name: Judith
full_name: Bühlmeier, Judith
last_name: Bühlmeier
- first_name: Anke
full_name: Hinney, Anke
last_name: Hinney
- first_name: Lars
full_name: Libuda, Lars
last_name: Libuda
- first_name: Johannes
full_name: Hebebrand, Johannes
last_name: Hebebrand
citation:
ama: 'Peters T, Antel J, Naaresh R, et al. Suggestive Evidence for Causal Effect
of Leptin Levels on Risk for Anorexia Nervosa: Results of a Mendelian Randomization
Study. Frontiers in Genetics. 2021;12. doi:10.3389/fgene.2021.733606'
apa: 'Peters, T., Antel, J., Naaresh, R., Laabs, B.-H., Föcker, M., Albers, N.,
Bühlmeier, J., Hinney, A., Libuda, L., & Hebebrand, J. (2021). Suggestive
Evidence for Causal Effect of Leptin Levels on Risk for Anorexia Nervosa: Results
of a Mendelian Randomization Study. Frontiers in Genetics, 12. https://doi.org/10.3389/fgene.2021.733606'
bibtex: '@article{Peters_Antel_Naaresh_Laabs_Föcker_Albers_Bühlmeier_Hinney_Libuda_Hebebrand_2021,
title={Suggestive Evidence for Causal Effect of Leptin Levels on Risk for Anorexia
Nervosa: Results of a Mendelian Randomization Study}, volume={12}, DOI={10.3389/fgene.2021.733606},
journal={Frontiers in Genetics}, publisher={Frontiers Media SA}, author={Peters,
Triinu and Antel, Jochen and Naaresh, Roaa and Laabs, Björn-Hergen and Föcker,
Manuel and Albers, Nicola and Bühlmeier, Judith and Hinney, Anke and Libuda, Lars
and Hebebrand, Johannes}, year={2021} }'
chicago: 'Peters, Triinu, Jochen Antel, Roaa Naaresh, Björn-Hergen Laabs, Manuel
Föcker, Nicola Albers, Judith Bühlmeier, Anke Hinney, Lars Libuda, and Johannes
Hebebrand. “Suggestive Evidence for Causal Effect of Leptin Levels on Risk for
Anorexia Nervosa: Results of a Mendelian Randomization Study.” Frontiers in
Genetics 12 (2021). https://doi.org/10.3389/fgene.2021.733606.'
ieee: 'T. Peters et al., “Suggestive Evidence for Causal Effect of Leptin
Levels on Risk for Anorexia Nervosa: Results of a Mendelian Randomization Study,”
Frontiers in Genetics, vol. 12, 2021, doi: 10.3389/fgene.2021.733606.'
mla: 'Peters, Triinu, et al. “Suggestive Evidence for Causal Effect of Leptin Levels
on Risk for Anorexia Nervosa: Results of a Mendelian Randomization Study.” Frontiers
in Genetics, vol. 12, Frontiers Media SA, 2021, doi:10.3389/fgene.2021.733606.'
short: T. Peters, J. Antel, R. Naaresh, B.-H. Laabs, M. Föcker, N. Albers, J. Bühlmeier,
A. Hinney, L. Libuda, J. Hebebrand, Frontiers in Genetics 12 (2021).
date_created: 2022-07-06T15:10:40Z
date_updated: 2022-08-30T13:11:49Z
department:
- _id: '35'
doi: 10.3389/fgene.2021.733606
intvolume: ' 12'
keyword:
- Genetics (clinical)
- Genetics
- Molecular Medicine
language:
- iso: eng
publication: Frontiers in Genetics
publication_identifier:
issn:
- 1664-8021
publication_status: published
publisher: Frontiers Media SA
status: public
title: 'Suggestive Evidence for Causal Effect of Leptin Levels on Risk for Anorexia
Nervosa: Results of a Mendelian Randomization Study'
type: journal_article
user_id: '88682'
volume: 12
year: '2021'
...
---
_id: '27575'
abstract:
- lang: eng
text: There is a distinct increase in the prevalence of depression with
the onset of puberty. The role of peripubertal testosterone levels in boys in
this context is insufficiently understood and may be modulated by a functional
polymorphism of the androgen receptor gene (AR), a variable number of CAG repeats.
Moreover, there is preliminary evidence that the relationship between testosterone,
CAG repeat length, and the severity of depressive symptoms may differ between
subclinical and overt depression, but this has neither been studied in a clinical
sample of adolescents with depression nor compared between subclinical and overt
depression in an adequately powered study. To investigate the relationship between
free testosterone, CAG repeat length of the AR, depression status (subclinical
vs. overt), and the severity of depressive symptoms, 118 boys treated as in- or
daycare patients at a single psychiatric hospital were studied. Of these, 73 boys
had at least mild depressive symptoms according to the Beck Depression Inventory-II
(BDI-II > 13). Higher-order moderation analysis in the multiple regression
framework revealed a constant relationship between free testosterone and depression
severity irrespective of the number of CAG repeats in adolescents with a BDI-II
score ≤ 13. In adolescents with a BDI-II score > 13, however, there was
a significant negative relationship between free testosterone and BDI-II score
in patients with <19 CAG repeats and a significant positive relationship
regarding free testosterone and BDI-II score in those with more than 28 CAG repeats,
even when considering important covariates. These results suggest that the effects
of testosterone on mood in male adolescents with depression depend on the genetic
make-up of the AR as well as on depression status. This complex relationship should
be considered by future studies addressing mental health issues against an endocrine
background and may, moreover, contribute to tailored treatment concepts in psychiatric
medicine, especially in adults.
author:
- first_name: Raphael
full_name: Hirtz, Raphael
last_name: Hirtz
- first_name: Lars
full_name: Libuda, Lars
id: '88682'
last_name: Libuda
orcid: 0000-0003-1603-3133
- first_name: Anke
full_name: Hinney, Anke
last_name: Hinney
- first_name: Manuel
full_name: Föcker, Manuel
last_name: Föcker
- first_name: Judith
full_name: Bühlmeier, Judith
last_name: Bühlmeier
- first_name: Paul-Martin
full_name: Holterhus, Paul-Martin
last_name: Holterhus
- first_name: Alexandra
full_name: Kulle, Alexandra
last_name: Kulle
- first_name: Cordula
full_name: Kiewert, Cordula
last_name: Kiewert
- first_name: Johannes
full_name: Hebebrand, Johannes
last_name: Hebebrand
- first_name: Corinna
full_name: Grasemann, Corinna
last_name: Grasemann
citation:
ama: 'Hirtz R, Libuda L, Hinney A, et al. Size Matters: The CAG Repeat Length of
the Androgen Receptor Gene, Testosterone, and Male Adolescent Depression Severity.
Frontiers in Psychiatry. Published online 2021. doi:10.3389/fpsyt.2021.732759'
apa: 'Hirtz, R., Libuda, L., Hinney, A., Föcker, M., Bühlmeier, J., Holterhus, P.-M.,
Kulle, A., Kiewert, C., Hebebrand, J., & Grasemann, C. (2021). Size Matters:
The CAG Repeat Length of the Androgen Receptor Gene, Testosterone, and Male Adolescent
Depression Severity. Frontiers in Psychiatry. https://doi.org/10.3389/fpsyt.2021.732759'
bibtex: '@article{Hirtz_Libuda_Hinney_Föcker_Bühlmeier_Holterhus_Kulle_Kiewert_Hebebrand_Grasemann_2021,
title={Size Matters: The CAG Repeat Length of the Androgen Receptor Gene, Testosterone,
and Male Adolescent Depression Severity}, DOI={10.3389/fpsyt.2021.732759},
journal={Frontiers in Psychiatry}, author={Hirtz, Raphael and Libuda, Lars and
Hinney, Anke and Föcker, Manuel and Bühlmeier, Judith and Holterhus, Paul-Martin
and Kulle, Alexandra and Kiewert, Cordula and Hebebrand, Johannes and Grasemann,
Corinna}, year={2021} }'
chicago: 'Hirtz, Raphael, Lars Libuda, Anke Hinney, Manuel Föcker, Judith Bühlmeier,
Paul-Martin Holterhus, Alexandra Kulle, Cordula Kiewert, Johannes Hebebrand, and
Corinna Grasemann. “Size Matters: The CAG Repeat Length of the Androgen Receptor
Gene, Testosterone, and Male Adolescent Depression Severity.” Frontiers in
Psychiatry, 2021. https://doi.org/10.3389/fpsyt.2021.732759.'
ieee: 'R. Hirtz et al., “Size Matters: The CAG Repeat Length of the Androgen
Receptor Gene, Testosterone, and Male Adolescent Depression Severity,” Frontiers
in Psychiatry, 2021, doi: 10.3389/fpsyt.2021.732759.'
mla: 'Hirtz, Raphael, et al. “Size Matters: The CAG Repeat Length of the Androgen
Receptor Gene, Testosterone, and Male Adolescent Depression Severity.” Frontiers
in Psychiatry, 2021, doi:10.3389/fpsyt.2021.732759.'
short: R. Hirtz, L. Libuda, A. Hinney, M. Föcker, J. Bühlmeier, P.-M. Holterhus,
A. Kulle, C. Kiewert, J. Hebebrand, C. Grasemann, Frontiers in Psychiatry (2021).
date_created: 2021-11-18T19:57:38Z
date_updated: 2022-09-15T09:40:45Z
department:
- _id: '35'
- _id: '22'
- _id: '395'
doi: 10.3389/fpsyt.2021.732759
extern: '1'
language:
- iso: eng
publication: Frontiers in Psychiatry
publication_identifier:
issn:
- 1664-0640
publication_status: published
status: public
title: 'Size Matters: The CAG Repeat Length of the Androgen Receptor Gene, Testosterone,
and Male Adolescent Depression Severity'
type: journal_article
user_id: '89838'
year: '2021'
...
---
_id: '27571'
abstract:
- lang: eng
text: '(1) Background: Evidence has accumulated that patients with anorexia
nervosa (AN) are at higher risk for vitamin D deficiency than healthy controls.
In epidemiologic studies, low 25(OH) vitamin D (25(OH)D) levels were associated
with depression. This study analyzed the relationship between 25(OH)D serum levels
in adolescent patients and AN and depressive symptoms over the course of treatment.
(2) Methods: 25(OH)D levels and depressive symptoms were analyzed in 93 adolescent
(in-)patients with AN from the Anorexia Nervosa Day patient versus Inpatient (ANDI)
multicenter trial at clinic admission, discharge, and 1 year follow up. Mixed
regression models were used to analyze the relationship between 25(OH)D levels
and depressive symptoms assessed by the Beck Depression Inventory (BDI-II). (3)
Results: Although mean 25(OH)D levels constantly remained in recommended ranges
(≥50 nmol/L) during AN treatment, levels decreased from (in)patient admission
to 1 year follow up. Levels of 25(OH)D were neither cross-sectionally, prospectively,
nor longitudinally associated with the BDI-II score. (4) Conclusions: This study
did not confirm that 25(OH)D levels are associated with depressive symptoms in
patients with AN. However, increasing risks of vitamin D deficiency over the course
of AN treatment indicate that clinicians should monitor 25(OH)D levels.'
article_number: '2356'
author:
- first_name: Manuel
full_name: Föcker, Manuel
last_name: Föcker
- first_name: Nina
full_name: Timmesfeld, Nina
last_name: Timmesfeld
- first_name: Judith
full_name: Bühlmeier, Judith
id: '89838'
last_name: Bühlmeier
- first_name: Denise
full_name: Zwanziger, Denise
last_name: Zwanziger
- first_name: Dagmar
full_name: Führer, Dagmar
last_name: Führer
- first_name: Corinna
full_name: Grasemann, Corinna
last_name: Grasemann
- first_name: Stefan
full_name: Ehrlich, Stefan
last_name: Ehrlich
- first_name: Karin
full_name: Egberts, Karin
last_name: Egberts
- first_name: Christian
full_name: Fleischhaker, Christian
last_name: Fleischhaker
- first_name: Christoph
full_name: Wewetzer, Christoph
last_name: Wewetzer
- first_name: Ida
full_name: Wessing, Ida
last_name: Wessing
- first_name: Jochen
full_name: Seitz, Jochen
last_name: Seitz
- first_name: Beate
full_name: Herpertz-Dahlmann, Beate
last_name: Herpertz-Dahlmann
- first_name: Johannes
full_name: Hebebrand, Johannes
last_name: Hebebrand
- first_name: Lars
full_name: Libuda, Lars
id: '88682'
last_name: Libuda
orcid: 0000-0003-1603-3133
citation:
ama: 'Föcker M, Timmesfeld N, Bühlmeier J, et al. Vitamin D Level Trajectories of
Adolescent Patients with Anorexia Nervosa at Inpatient Admission, during Treatment,
and at One Year Follow Up: Association with Depressive Symptoms. Nutrients.
Published online 2021. doi:10.3390/nu13072356'
apa: 'Föcker, M., Timmesfeld, N., Bühlmeier, J., Zwanziger, D., Führer, D., Grasemann,
C., Ehrlich, S., Egberts, K., Fleischhaker, C., Wewetzer, C., Wessing, I., Seitz,
J., Herpertz-Dahlmann, B., Hebebrand, J., & Libuda, L. (2021). Vitamin D Level
Trajectories of Adolescent Patients with Anorexia Nervosa at Inpatient Admission,
during Treatment, and at One Year Follow Up: Association with Depressive Symptoms.
Nutrients, Article 2356. https://doi.org/10.3390/nu13072356'
bibtex: '@article{Föcker_Timmesfeld_Bühlmeier_Zwanziger_Führer_Grasemann_Ehrlich_Egberts_Fleischhaker_Wewetzer_et
al._2021, title={Vitamin D Level Trajectories of Adolescent Patients with Anorexia
Nervosa at Inpatient Admission, during Treatment, and at One Year Follow Up: Association
with Depressive Symptoms}, DOI={10.3390/nu13072356},
number={2356}, journal={Nutrients}, author={Föcker, Manuel and Timmesfeld, Nina
and Bühlmeier, Judith and Zwanziger, Denise and Führer, Dagmar and Grasemann,
Corinna and Ehrlich, Stefan and Egberts, Karin and Fleischhaker, Christian and
Wewetzer, Christoph and et al.}, year={2021} }'
chicago: 'Föcker, Manuel, Nina Timmesfeld, Judith Bühlmeier, Denise Zwanziger, Dagmar
Führer, Corinna Grasemann, Stefan Ehrlich, et al. “Vitamin D Level Trajectories
of Adolescent Patients with Anorexia Nervosa at Inpatient Admission, during Treatment,
and at One Year Follow Up: Association with Depressive Symptoms.” Nutrients,
2021. https://doi.org/10.3390/nu13072356.'
ieee: 'M. Föcker et al., “Vitamin D Level Trajectories of Adolescent Patients
with Anorexia Nervosa at Inpatient Admission, during Treatment, and at One Year
Follow Up: Association with Depressive Symptoms,” Nutrients, Art. no. 2356,
2021, doi: 10.3390/nu13072356.'
mla: 'Föcker, Manuel, et al. “Vitamin D Level Trajectories of Adolescent Patients
with Anorexia Nervosa at Inpatient Admission, during Treatment, and at One Year
Follow Up: Association with Depressive Symptoms.” Nutrients, 2356, 2021,
doi:10.3390/nu13072356.'
short: M. Föcker, N. Timmesfeld, J. Bühlmeier, D. Zwanziger, D. Führer, C. Grasemann,
S. Ehrlich, K. Egberts, C. Fleischhaker, C. Wewetzer, I. Wessing, J. Seitz, B.
Herpertz-Dahlmann, J. Hebebrand, L. Libuda, Nutrients (2021).
date_created: 2021-11-18T19:23:23Z
date_updated: 2022-09-15T09:42:11Z
department:
- _id: '35'
- _id: '22'
- _id: '395'
doi: 10.3390/nu13072356
extern: '1'
language:
- iso: eng
publication: Nutrients
publication_identifier:
issn:
- 2072-6643
publication_status: published
status: public
title: 'Vitamin D Level Trajectories of Adolescent Patients with Anorexia Nervosa
at Inpatient Admission, during Treatment, and at One Year Follow Up: Association
with Depressive Symptoms'
type: journal_article
user_id: '89838'
year: '2021'
...
---
_id: '26632'
abstract:
- lang: eng
text: AbstractAnorexia nervosa (AN) is a severe
eating disorder and often associated with altered humoral immune responses. However,
distinct B cell maturation stages in peripheral blood in adolescents with AN have
not been characterized. Treatment effects and the relationship between clinical
and B cell parameters are also not fully understood. Here we investigated the
phenotype of circulating B cell subsets and the relationship with body composition
in adolescents with AN before (T0, n = 24) and after 6 weeks (T1, n = 20) of treatment.
Using multi-parameter flow cytometry, we found increased percentages of antigen-experienced
B cells and plasmablasts in patients with AN compared to healthy controls (n = 20).
In contrast, percentages of CD1d+CD5+
B cells and transitional B cells with immunoregulatory roles were reduced at T0
and T1. These B cell frequencies correlated positively with fat mass, fat mass
index (FMI), free fat mass index, and body mass index standard deviation score.
In addition, scavenger-like receptor CD5 expression levels were downregulated
on transitional B cells and correlated with fat mass and FMI in AN. Our findings
that regulatory B cell subgroups were reduced in AN and their strong relationship
with body composition parameters point toward an impact of immunoregulatory B
cells in the pathogenesis of AN.
author:
- first_name: Jana
full_name: Freff, Jana
last_name: Freff
- first_name: Kathrin
full_name: Schwarte, Kathrin
last_name: Schwarte
- first_name: Lisa
full_name: Bröker, Lisa
last_name: Bröker
- first_name: Judith
full_name: Bühlmeier, Judith
id: '89838'
last_name: Bühlmeier
- first_name: Isabelle
full_name: Kraft, Isabelle
last_name: Kraft
- first_name: Dana
full_name: Öztürk, Dana
last_name: Öztürk
- first_name: Anke
full_name: Hinney, Anke
last_name: Hinney
- first_name: Volker
full_name: Arolt, Volker
last_name: Arolt
- first_name: Udo
full_name: Dannlowski, Udo
last_name: Dannlowski
- first_name: Georg
full_name: Romer, Georg
last_name: Romer
- first_name: Bernhard T.
full_name: Baune, Bernhard T.
last_name: Baune
- first_name: Johannes
full_name: Hebebrand, Johannes
last_name: Hebebrand
- first_name: Manuel
full_name: Föcker, Manuel
last_name: Föcker
- first_name: Judith
full_name: Alferink, Judith
last_name: Alferink
citation:
ama: Freff J, Schwarte K, Bröker L, et al. Alterations in B cell subsets correlate
with body composition parameters in female adolescents with anorexia nervosa.
Scientific Reports. Published online 2021. doi:10.1038/s41598-020-80693-4
apa: Freff, J., Schwarte, K., Bröker, L., Bühlmeier, J., Kraft, I., Öztürk, D.,
Hinney, A., Arolt, V., Dannlowski, U., Romer, G., Baune, B. T., Hebebrand, J.,
Föcker, M., & Alferink, J. (2021). Alterations in B cell subsets correlate
with body composition parameters in female adolescents with anorexia nervosa.
Scientific Reports. https://doi.org/10.1038/s41598-020-80693-4
bibtex: '@article{Freff_Schwarte_Bröker_Bühlmeier_Kraft_Öztürk_Hinney_Arolt_Dannlowski_Romer_et
al._2021, title={Alterations in B cell subsets correlate with body composition
parameters in female adolescents with anorexia nervosa}, DOI={10.1038/s41598-020-80693-4},
journal={Scientific Reports}, author={Freff, Jana and Schwarte, Kathrin and Bröker,
Lisa and Bühlmeier, Judith and Kraft, Isabelle and Öztürk, Dana and Hinney, Anke
and Arolt, Volker and Dannlowski, Udo and Romer, Georg and et al.}, year={2021}
}'
chicago: Freff, Jana, Kathrin Schwarte, Lisa Bröker, Judith Bühlmeier, Isabelle
Kraft, Dana Öztürk, Anke Hinney, et al. “Alterations in B Cell Subsets Correlate
with Body Composition Parameters in Female Adolescents with Anorexia Nervosa.”
Scientific Reports, 2021. https://doi.org/10.1038/s41598-020-80693-4.
ieee: 'J. Freff et al., “Alterations in B cell subsets correlate with body
composition parameters in female adolescents with anorexia nervosa,” Scientific
Reports, 2021, doi: 10.1038/s41598-020-80693-4.'
mla: Freff, Jana, et al. “Alterations in B Cell Subsets Correlate with Body Composition
Parameters in Female Adolescents with Anorexia Nervosa.” Scientific Reports,
2021, doi:10.1038/s41598-020-80693-4.
short: J. Freff, K. Schwarte, L. Bröker, J. Bühlmeier, I. Kraft, D. Öztürk, A. Hinney,
V. Arolt, U. Dannlowski, G. Romer, B.T. Baune, J. Hebebrand, M. Föcker, J. Alferink,
Scientific Reports (2021).
date_created: 2021-10-20T18:56:17Z
date_updated: 2022-09-15T09:50:35Z
department:
- _id: '35'
- _id: '22'
- _id: '395'
doi: 10.1038/s41598-020-80693-4
extern: '1'
language:
- iso: eng
publication: Scientific Reports
publication_identifier:
issn:
- 2045-2322
publication_status: published
status: public
title: Alterations in B cell subsets correlate with body composition parameters in
female adolescents with anorexia nervosa
type: journal_article
user_id: '89838'
year: '2021'
...
---
_id: '26525'
author:
- first_name: Johannes
full_name: Hebebrand, Johannes
last_name: Hebebrand
- first_name: Jochen
full_name: Antel, Jochen
last_name: Antel
- first_name: Susanne
full_name: Tan, Susanne
last_name: Tan
- first_name: Martin
full_name: Wabitsch, Martin
last_name: Wabitsch
- first_name: Urban
full_name: Wiesing, Urban
last_name: Wiesing
- first_name: Nikolaus
full_name: Barth, Nikolaus
last_name: Barth
- first_name: Christine
full_name: Ludwig, Christine
last_name: Ludwig
- first_name: Judith
full_name: Bühlmeier, Judith
id: '89838'
last_name: Bühlmeier
- first_name: Lars
full_name: Libuda, Lars
id: '88682'
last_name: Libuda
orcid: 0000-0003-1603-3133
- first_name: Gabriella
full_name: Milos, Gabriella
last_name: Milos
- first_name: Anke
full_name: Hinney, Anke
last_name: Hinney
citation:
ama: 'Hebebrand J, Antel J, Tan S, et al. Kurzzeitige Behandlung von Patient_innen
mit Anorexia nervosa mit rekombinant hergestelltem Human-Leptin
(Metreleptin): Rasch einsetzende positive Effekte auf Stimmung,
Kognition und Verhalten. Zeitschrift für Kinder- und Jugendpsychiatrie und
Psychotherapie. Published online 2021:1-5. doi:10.1024/1422-4917/a000775'
apa: 'Hebebrand, J., Antel, J., Tan, S., Wabitsch, M., Wiesing, U., Barth, N., Ludwig,
C., Bühlmeier, J., Libuda, L., Milos, G., & Hinney, A. (2021). Kurzzeitige
Behandlung von Patient_innen mit Anorexia nervosa mit rekombinant
hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive
Effekte auf Stimmung, Kognition und Verhalten. Zeitschrift für Kinder-
und Jugendpsychiatrie und Psychotherapie, 1–5. https://doi.org/10.1024/1422-4917/a000775'
bibtex: '@article{Hebebrand_Antel_Tan_Wabitsch_Wiesing_Barth_Ludwig_Bühlmeier_Libuda_Milos_et
al._2021, title={Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa
mit rekombinant hergestelltem Human-Leptin (Metreleptin):
Rasch einsetzende positive Effekte auf Stimmung, Kognition
und Verhalten}, DOI={10.1024/1422-4917/a000775},
journal={Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie}, author={Hebebrand,
Johannes and Antel, Jochen and Tan, Susanne and Wabitsch, Martin and Wiesing,
Urban and Barth, Nikolaus and Ludwig, Christine and Bühlmeier, Judith and Libuda,
Lars and Milos, Gabriella and et al.}, year={2021}, pages={1–5} }'
chicago: 'Hebebrand, Johannes, Jochen Antel, Susanne Tan, Martin Wabitsch, Urban
Wiesing, Nikolaus Barth, Christine Ludwig, et al. “Kurzzeitige Behandlung von
Patient_innen mit Anorexia nervosa mit rekombinant hergestelltem
Human-Leptin (Metreleptin): Rasch einsetzende positive Effekte
auf Stimmung, Kognition und Verhalten.” Zeitschrift für Kinder- und Jugendpsychiatrie
und Psychotherapie, 2021, 1–5. https://doi.org/10.1024/1422-4917/a000775.'
ieee: 'J. Hebebrand et al., “Kurzzeitige Behandlung von Patient_innen mit
Anorexia nervosa mit rekombinant hergestelltem Human-Leptin
(Metreleptin): Rasch einsetzende positive Effekte auf Stimmung,
Kognition und Verhalten,” Zeitschrift für Kinder- und Jugendpsychiatrie und
Psychotherapie, pp. 1–5, 2021, doi: 10.1024/1422-4917/a000775.'
mla: 'Hebebrand, Johannes, et al. “Kurzzeitige Behandlung von Patient_innen mit
Anorexia nervosa mit rekombinant hergestelltem Human-Leptin
(Metreleptin): Rasch einsetzende positive Effekte auf Stimmung,
Kognition und Verhalten.” Zeitschrift für Kinder- und Jugendpsychiatrie und
Psychotherapie, 2021, pp. 1–5, doi:10.1024/1422-4917/a000775.'
short: J. Hebebrand, J. Antel, S. Tan, M. Wabitsch, U. Wiesing, N. Barth, C. Ludwig,
J. Bühlmeier, L. Libuda, G. Milos, A. Hinney, Zeitschrift für Kinder- und Jugendpsychiatrie
und Psychotherapie (2021) 1–5.
date_created: 2021-10-19T09:55:10Z
date_updated: 2022-09-15T09:50:49Z
department:
- _id: '35'
- _id: '22'
doi: 10.1024/1422-4917/a000775
extern: '1'
language:
- iso: ger
page: 1-5
publication: Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie
publication_identifier:
issn:
- 1422-4917
- 1664-2880
publication_status: published
status: public
title: 'Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa mit rekombinant
hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive Effekte
auf Stimmung, Kognition und Verhalten'
type: journal_article
user_id: '89838'
year: '2021'
...
---
_id: '33587'
abstract:
- lang: eng
text: "Abstract\r\n We performed
a virtual materials screening to identify promising topological materials for
photocatalytic water splitting under visible light irradiation. Topological compounds
were screened based on band gap, band edge energy, and thermodynamics stability
criteria. In addition, topological types for our final candidates were computed
based on electronic structures calculated usingthe hybrid density functional theory
including exact Hartree–Fock exchange. Our final list contains materials which
have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable
for water oxidation and reduction. However, the topological types of these compounds
calculated with the hybrid functional differ from those reported previously. To
that end, we discuss the importance of computational methods for the calculation
of atomic and electronic structures in materials screening processes."
article_number: '015001'
author:
- first_name: Ahmad
full_name: Ranjbar, Ahmad
last_name: Ranjbar
- first_name: Hossein
full_name: Mirhosseini, Hossein
last_name: Mirhosseini
- first_name: Thomas D
full_name: Kühne, Thomas D
last_name: Kühne
citation:
ama: 'Ranjbar A, Mirhosseini H, Kühne TD. On topological materials as photocatalysts
for water splitting by visible light. Journal of Physics: Materials. 2021;5(1).
doi:10.1088/2515-7639/ac363d'
apa: 'Ranjbar, A., Mirhosseini, H., & Kühne, T. D. (2021). On topological materials
as photocatalysts for water splitting by visible light. Journal of Physics:
Materials, 5(1), Article 015001. https://doi.org/10.1088/2515-7639/ac363d'
bibtex: '@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials
as photocatalysts for water splitting by visible light}, volume={5}, DOI={10.1088/2515-7639/ac363d},
number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing},
author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas D}, year={2021}
}'
chicago: 'Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas D Kühne. “On Topological
Materials as Photocatalysts for Water Splitting by Visible Light.” Journal
of Physics: Materials 5, no. 1 (2021). https://doi.org/10.1088/2515-7639/ac363d.'
ieee: 'A. Ranjbar, H. Mirhosseini, and T. D. Kühne, “On topological materials as
photocatalysts for water splitting by visible light,” Journal of Physics: Materials,
vol. 5, no. 1, Art. no. 015001, 2021, doi: 10.1088/2515-7639/ac363d.'
mla: 'Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water
Splitting by Visible Light.” Journal of Physics: Materials, vol. 5, no.
1, 015001, IOP Publishing, 2021, doi:10.1088/2515-7639/ac363d.'
short: 'A. Ranjbar, H. Mirhosseini, T.D. Kühne, Journal of Physics: Materials 5
(2021).'
date_created: 2022-10-09T15:25:09Z
date_updated: 2022-10-09T15:25:19Z
department:
- _id: '613'
doi: 10.1088/2515-7639/ac363d
intvolume: ' 5'
issue: '1'
keyword:
- Condensed Matter Physics
- General Materials Science
- Atomic and Molecular Physics
- and Optics
language:
- iso: eng
publication: 'Journal of Physics: Materials'
publication_identifier:
issn:
- 2515-7639
publication_status: published
publisher: IOP Publishing
status: public
title: On topological materials as photocatalysts for water splitting by visible light
type: journal_article
user_id: '71051'
volume: 5
year: '2021'
...
---
_id: '33643'
abstract:
- lang: eng
text: The origin of strong interactions between water molecules and porous
C2N surfaces is investigated by using a combination of model
materials, volumetric physisorption measurements, solid-state NMR spectroscopy,
and DFT calculations.
author:
- first_name: Julian Joachim
full_name: Heske, Julian Joachim
id: '53238'
last_name: Heske
- first_name: Ralf
full_name: Walczak, Ralf
last_name: Walczak
- first_name: Jan D.
full_name: Epping, Jan D.
last_name: Epping
- first_name: Sol
full_name: Youk, Sol
last_name: Youk
- first_name: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: Markus
full_name: Antonietti, Markus
last_name: Antonietti
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Martin
full_name: Oschatz, Martin
last_name: Oschatz
citation:
ama: Heske JJ, Walczak R, Epping JD, et al. When water becomes an integral part
of carbon – combining theory and experiment to understand the zeolite-like water
adsorption properties of porous C2N materials. Journal of Materials
Chemistry A. 2021;9(39):22563-22572. doi:10.1039/d1ta05122a
apa: Heske, J. J., Walczak, R., Epping, J. D., Youk, S., Sahoo, S. K., Antonietti,
M., Kühne, T., & Oschatz, M. (2021). When water becomes an integral part of
carbon – combining theory and experiment to understand the zeolite-like water
adsorption properties of porous C2N materials. Journal of Materials
Chemistry A, 9(39), 22563–22572. https://doi.org/10.1039/d1ta05122a
bibtex: '@article{Heske_Walczak_Epping_Youk_Sahoo_Antonietti_Kühne_Oschatz_2021,
title={When water becomes an integral part of carbon – combining theory and experiment
to understand the zeolite-like water adsorption properties of porous C2N
materials}, volume={9}, DOI={10.1039/d1ta05122a},
number={39}, journal={Journal of Materials Chemistry A}, publisher={Royal Society
of Chemistry (RSC)}, author={Heske, Julian Joachim and Walczak, Ralf and Epping,
Jan D. and Youk, Sol and Sahoo, Sudhir K. and Antonietti, Markus and Kühne, Thomas
and Oschatz, Martin}, year={2021}, pages={22563–22572} }'
chicago: 'Heske, Julian Joachim, Ralf Walczak, Jan D. Epping, Sol Youk, Sudhir K.
Sahoo, Markus Antonietti, Thomas Kühne, and Martin Oschatz. “When Water Becomes
an Integral Part of Carbon – Combining Theory and Experiment to Understand the
Zeolite-like Water Adsorption Properties of Porous C2N Materials.”
Journal of Materials Chemistry A 9, no. 39 (2021): 22563–72. https://doi.org/10.1039/d1ta05122a.'
ieee: 'J. J. Heske et al., “When water becomes an integral part of carbon
– combining theory and experiment to understand the zeolite-like water adsorption
properties of porous C2N materials,” Journal of Materials Chemistry
A, vol. 9, no. 39, pp. 22563–22572, 2021, doi: 10.1039/d1ta05122a.'
mla: Heske, Julian Joachim, et al. “When Water Becomes an Integral Part of Carbon
– Combining Theory and Experiment to Understand the Zeolite-like Water Adsorption
Properties of Porous C2N Materials.” Journal of Materials Chemistry
A, vol. 9, no. 39, Royal Society of Chemistry (RSC), 2021, pp. 22563–72, doi:10.1039/d1ta05122a.
short: J.J. Heske, R. Walczak, J.D. Epping, S. Youk, S.K. Sahoo, M. Antonietti,
T. Kühne, M. Oschatz, Journal of Materials Chemistry A 9 (2021) 22563–22572.
date_created: 2022-10-10T08:08:53Z
date_updated: 2022-10-10T08:09:44Z
department:
- _id: '613'
doi: 10.1039/d1ta05122a
intvolume: ' 9'
issue: '39'
keyword:
- General Materials Science
- Renewable Energy
- Sustainability and the Environment
- General Chemistry
language:
- iso: eng
page: 22563-22572
publication: Journal of Materials Chemistry A
publication_identifier:
issn:
- 2050-7488
- 2050-7496
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: When water becomes an integral part of carbon – combining theory and experiment
to understand the zeolite-like water adsorption properties of porous C2N
materials
type: journal_article
user_id: '71051'
volume: 9
year: '2021'
...
---
_id: '33645'
abstract:
- lang: eng
text: AbstractVibrational sum-frequency generation
(vSFG) spectroscopy allows the study of the structure and dynamics of interfacial
systems. In the present work, we provide a simple recipe, based on a narrowband
IR pump and broadband vSFG probe technique, to computationally obtain the two-dimensional
vSFG spectrum of water molecules at the air–water interface. Using this technique,
to study the time-dependent spectral evolution of hydrogen-bonded and free water
molecules, we demonstrate that at the interface, the vibrational spectral dynamics
of the free OH bond is faster than that of the bonded OH mode.
article_number: '2456'
author:
- first_name: Deepak
full_name: Ojha, Deepak
last_name: Ojha
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Ojha D, Kühne T. Hydrogen bond dynamics of interfacial water molecules revealed
from two-dimensional vibrational sum-frequency generation spectroscopy. Scientific
Reports. 2021;11(1). doi:10.1038/s41598-021-81635-4
apa: Ojha, D., & Kühne, T. (2021). Hydrogen bond dynamics of interfacial water
molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy.
Scientific Reports, 11(1), Article 2456. https://doi.org/10.1038/s41598-021-81635-4
bibtex: '@article{Ojha_Kühne_2021, title={Hydrogen bond dynamics of interfacial
water molecules revealed from two-dimensional vibrational sum-frequency generation
spectroscopy}, volume={11}, DOI={10.1038/s41598-021-81635-4},
number={12456}, journal={Scientific Reports}, publisher={Springer Science and
Business Media LLC}, author={Ojha, Deepak and Kühne, Thomas}, year={2021} }'
chicago: Ojha, Deepak, and Thomas Kühne. “Hydrogen Bond Dynamics of Interfacial
Water Molecules Revealed from Two-Dimensional Vibrational Sum-Frequency Generation
Spectroscopy.” Scientific Reports 11, no. 1 (2021). https://doi.org/10.1038/s41598-021-81635-4.
ieee: 'D. Ojha and T. Kühne, “Hydrogen bond dynamics of interfacial water molecules
revealed from two-dimensional vibrational sum-frequency generation spectroscopy,”
Scientific Reports, vol. 11, no. 1, Art. no. 2456, 2021, doi: 10.1038/s41598-021-81635-4.'
mla: Ojha, Deepak, and Thomas Kühne. “Hydrogen Bond Dynamics of Interfacial Water
Molecules Revealed from Two-Dimensional Vibrational Sum-Frequency Generation Spectroscopy.”
Scientific Reports, vol. 11, no. 1, 2456, Springer Science and Business
Media LLC, 2021, doi:10.1038/s41598-021-81635-4.
short: D. Ojha, T. Kühne, Scientific Reports 11 (2021).
date_created: 2022-10-10T08:12:00Z
date_updated: 2022-10-10T08:12:16Z
department:
- _id: '613'
doi: 10.1038/s41598-021-81635-4
intvolume: ' 11'
issue: '1'
keyword:
- Multidisciplinary
language:
- iso: eng
publication: Scientific Reports
publication_identifier:
issn:
- 2045-2322
publication_status: published
publisher: Springer Science and Business Media LLC
status: public
title: Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional
vibrational sum-frequency generation spectroscopy
type: journal_article
user_id: '71051'
volume: 11
year: '2021'
...
---
_id: '33644'
author:
- first_name: Svetlana
full_name: Pylaeva, Svetlana
id: '78888'
last_name: Pylaeva
- first_name: Patrick
full_name: Marx, Patrick
last_name: Marx
- first_name: Gurjot
full_name: Singh, Gurjot
last_name: Singh
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Michael
full_name: Roemelt, Michael
last_name: Roemelt
- first_name: Hossam
full_name: Elgabarty, Hossam
id: '60250'
last_name: Elgabarty
orcid: 0000-0002-4945-1481
citation:
ama: Pylaeva S, Marx P, Singh G, Kühne T, Roemelt M, Elgabarty H. Organic Mixed-Valence
Compounds and the Overhauser Effect in Insulating Solids. The Journal of Physical
Chemistry A. 2021;125(3):867-874. doi:10.1021/acs.jpca.0c11296
apa: Pylaeva, S., Marx, P., Singh, G., Kühne, T., Roemelt, M., & Elgabarty,
H. (2021). Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating
Solids. The Journal of Physical Chemistry A, 125(3), 867–874. https://doi.org/10.1021/acs.jpca.0c11296
bibtex: '@article{Pylaeva_Marx_Singh_Kühne_Roemelt_Elgabarty_2021, title={Organic
Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids}, volume={125},
DOI={10.1021/acs.jpca.0c11296},
number={3}, journal={The Journal of Physical Chemistry A}, publisher={American
Chemical Society (ACS)}, author={Pylaeva, Svetlana and Marx, Patrick and Singh,
Gurjot and Kühne, Thomas and Roemelt, Michael and Elgabarty, Hossam}, year={2021},
pages={867–874} }'
chicago: 'Pylaeva, Svetlana, Patrick Marx, Gurjot Singh, Thomas Kühne, Michael Roemelt,
and Hossam Elgabarty. “Organic Mixed-Valence Compounds and the Overhauser Effect
in Insulating Solids.” The Journal of Physical Chemistry A 125, no. 3 (2021):
867–74. https://doi.org/10.1021/acs.jpca.0c11296.'
ieee: 'S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, and H. Elgabarty, “Organic
Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids,” The
Journal of Physical Chemistry A, vol. 125, no. 3, pp. 867–874, 2021, doi:
10.1021/acs.jpca.0c11296.'
mla: Pylaeva, Svetlana, et al. “Organic Mixed-Valence Compounds and the Overhauser
Effect in Insulating Solids.” The Journal of Physical Chemistry A, vol.
125, no. 3, American Chemical Society (ACS), 2021, pp. 867–74, doi:10.1021/acs.jpca.0c11296.
short: S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, H. Elgabarty, The Journal
of Physical Chemistry A 125 (2021) 867–874.
date_created: 2022-10-10T08:10:52Z
date_updated: 2022-10-10T08:11:18Z
department:
- _id: '613'
doi: 10.1021/acs.jpca.0c11296
intvolume: ' 125'
issue: '3'
keyword:
- Physical and Theoretical Chemistry
language:
- iso: eng
page: 867-874
publication: The Journal of Physical Chemistry A
publication_identifier:
issn:
- 1089-5639
- 1520-5215
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids
type: journal_article
user_id: '71051'
volume: 125
year: '2021'
...
---
_id: '33649'
article_number: '2000269'
author:
- first_name: Jan
full_name: Kessler, Jan
id: '65425'
last_name: Kessler
orcid: 0000-0002-8705-6992
- first_name: Francesco
full_name: Calcavecchia, Francesco
last_name: Calcavecchia
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Kessler J, Calcavecchia F, Kühne T. Artificial Neural Networks as Trial Wave
Functions for Quantum Monte Carlo. Advanced Theory and Simulations. 2021;4(4).
doi:10.1002/adts.202000269
apa: Kessler, J., Calcavecchia, F., & Kühne, T. (2021). Artificial Neural Networks
as Trial Wave Functions for Quantum Monte Carlo. Advanced Theory and Simulations,
4(4), Article 2000269. https://doi.org/10.1002/adts.202000269
bibtex: '@article{Kessler_Calcavecchia_Kühne_2021, title={Artificial Neural Networks
as Trial Wave Functions for Quantum Monte Carlo}, volume={4}, DOI={10.1002/adts.202000269},
number={42000269}, journal={Advanced Theory and Simulations}, publisher={Wiley},
author={Kessler, Jan and Calcavecchia, Francesco and Kühne, Thomas}, year={2021}
}'
chicago: Kessler, Jan, Francesco Calcavecchia, and Thomas Kühne. “Artificial Neural
Networks as Trial Wave Functions for Quantum Monte Carlo.” Advanced Theory
and Simulations 4, no. 4 (2021). https://doi.org/10.1002/adts.202000269.
ieee: 'J. Kessler, F. Calcavecchia, and T. Kühne, “Artificial Neural Networks as
Trial Wave Functions for Quantum Monte Carlo,” Advanced Theory and Simulations,
vol. 4, no. 4, Art. no. 2000269, 2021, doi: 10.1002/adts.202000269.'
mla: Kessler, Jan, et al. “Artificial Neural Networks as Trial Wave Functions for
Quantum Monte Carlo.” Advanced Theory and Simulations, vol. 4, no. 4, 2000269,
Wiley, 2021, doi:10.1002/adts.202000269.
short: J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4
(2021).
date_created: 2022-10-10T08:15:23Z
date_updated: 2022-10-10T08:15:37Z
department:
- _id: '613'
doi: 10.1002/adts.202000269
intvolume: ' 4'
issue: '4'
keyword:
- Multidisciplinary
- Modeling and Simulation
- Numerical Analysis
- Statistics and Probability
language:
- iso: eng
publication: Advanced Theory and Simulations
publication_identifier:
issn:
- 2513-0390
- 2513-0390
publication_status: published
publisher: Wiley
status: public
title: Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo
type: journal_article
user_id: '71051'
volume: 4
year: '2021'
...
---
_id: '33648'
article_number: '074107'
author:
- first_name: Alireza
full_name: Ghasemi, Alireza
id: '77282'
last_name: Ghasemi
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Ghasemi A, Kühne T. Artificial neural networks for the kinetic energy functional
of non-interacting fermions. The Journal of Chemical Physics. 2021;154(7).
doi:10.1063/5.0037319
apa: Ghasemi, A., & Kühne, T. (2021). Artificial neural networks for the kinetic
energy functional of non-interacting fermions. The Journal of Chemical Physics,
154(7), Article 074107. https://doi.org/10.1063/5.0037319
bibtex: '@article{Ghasemi_Kühne_2021, title={Artificial neural networks for the
kinetic energy functional of non-interacting fermions}, volume={154}, DOI={10.1063/5.0037319}, number={7074107},
journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Ghasemi,
Alireza and Kühne, Thomas}, year={2021} }'
chicago: Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the
Kinetic Energy Functional of Non-Interacting Fermions.” The Journal of Chemical
Physics 154, no. 7 (2021). https://doi.org/10.1063/5.0037319.
ieee: 'A. Ghasemi and T. Kühne, “Artificial neural networks for the kinetic energy
functional of non-interacting fermions,” The Journal of Chemical Physics,
vol. 154, no. 7, Art. no. 074107, 2021, doi: 10.1063/5.0037319.'
mla: Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic
Energy Functional of Non-Interacting Fermions.” The Journal of Chemical Physics,
vol. 154, no. 7, 074107, AIP Publishing, 2021, doi:10.1063/5.0037319.
short: A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).
date_created: 2022-10-10T08:14:44Z
date_updated: 2022-10-10T08:14:57Z
department:
- _id: '613'
doi: 10.1063/5.0037319
intvolume: ' 154'
issue: '7'
keyword:
- Physical and Theoretical Chemistry
- General Physics and Astronomy
language:
- iso: eng
publication: The Journal of Chemical Physics
publication_identifier:
issn:
- 0021-9606
- 1089-7690
publication_status: published
publisher: AIP Publishing
status: public
title: Artificial neural networks for the kinetic energy functional of non-interacting
fermions
type: journal_article
user_id: '71051'
volume: 154
year: '2021'
...
---
_id: '33655'
abstract:
- lang: eng
text: "Abstract\r\n Dual-ion batteries
are considered to be an emerging viable energy storage technology owing to their
safety, high power capability, low cost, and scalability. Intercalation of anions
into a graphite positive electrode provides high operating voltage and improved
energy density to such dual-ion batteries. In this work, we have performed a combinatorial
study of graphite intercalation compounds considering four anions, namely hexafluorophosphate
(PF\r\n \r\n\r\n\r\n
\ \r\n \r\n \r\n \r\n 6\r\n
\ \r\n \r\n
\ −\r\n \r\n
\ \r\n \r\n
\ \r\n ),
perchlorate (ClO\r\n \r\n\r\n\r\n \r\n \r\n \r\n \r\n 4\r\n
\ \r\n \r\n
\ −\r\n \r\n
\ \r\n \r\n
\ \r\n ),
bis(fluorosulfonyl)imide (FSI−), and bis(trifluoromethanesulfonyl)imide
(TFSI−), via first-principles calculations. The structural
properties and energetics of the intercalation compounds are compared based on
different sizes, geometries, and the physical and chemical properties of the intercalated
anions. The staging mechanism of anion intercalation into graphite and the specific
capacities, and voltage profiles of the intercalated compounds are investigated.
A comparison regarding battery electrochemistry is also done with available experimental
observations. Our calculated intercalation energies and voltage profiles show
that the initial anion intercalation into graphite is less favorable than subsequent
ones for all the anions considered in this study. Although the effect of the size
of anions in a graphite cathode on various properties of the intercalated compounds
is not as significant as the size of cations in a graphite anode, some distinction
between the studied anions can still be made. Among the studied anions, the intercalation
compounds based on PF\r\n \r\n\r\n\r\n \r\n \r\n \r\n \r\n 6\r\n
\ \r\n \r\n
\ −\r\n \r\n
\ \r\n \r\n
\ \r\n
are the most stable ones. These PF\r\n \r\n\r\n\r\n \r\n \r\n \r\n \r\n 6\r\n
\ \r\n \r\n
\ −\r\n \r\n
\ \r\n \r\n
\ \r\n
anions cause relatively small structural deformations of the graphite and have
the highest oxidative ability, highest onset voltage, and highest diffusion barrier
along the graphene sheets. The overall small diffusion barriers of the anions
within graphite explain the high rate capability of dual-ion batteries."
article_number: '085502'
author:
- first_name: Manjusha
full_name: Chugh, Manjusha
id: '71511'
last_name: Chugh
- first_name: Mitisha
full_name: Jain, Mitisha
last_name: Jain
- first_name: Gang
full_name: Wang, Gang
last_name: Wang
- first_name: Ali Shaygan
full_name: Nia, Ali Shaygan
last_name: Nia
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Chugh M, Jain M, Wang G, Nia AS, Mirhosseini H, Kühne T. A combinatorial study
of electrochemical anion intercalation into graphite. Materials Research Express.
2021;8(8). doi:10.1088/2053-1591/ac1965
apa: Chugh, M., Jain, M., Wang, G., Nia, A. S., Mirhosseini, H., & Kühne, T.
(2021). A combinatorial study of electrochemical anion intercalation into graphite.
Materials Research Express, 8(8), Article 085502. https://doi.org/10.1088/2053-1591/ac1965
bibtex: '@article{Chugh_Jain_Wang_Nia_Mirhosseini_Kühne_2021, title={A combinatorial
study of electrochemical anion intercalation into graphite}, volume={8}, DOI={10.1088/2053-1591/ac1965},
number={8085502}, journal={Materials Research Express}, publisher={IOP Publishing},
author={Chugh, Manjusha and Jain, Mitisha and Wang, Gang and Nia, Ali Shaygan
and Mirhosseini, Hossein and Kühne, Thomas}, year={2021} }'
chicago: Chugh, Manjusha, Mitisha Jain, Gang Wang, Ali Shaygan Nia, Hossein Mirhosseini,
and Thomas Kühne. “A Combinatorial Study of Electrochemical Anion Intercalation
into Graphite.” Materials Research Express 8, no. 8 (2021). https://doi.org/10.1088/2053-1591/ac1965.
ieee: 'M. Chugh, M. Jain, G. Wang, A. S. Nia, H. Mirhosseini, and T. Kühne, “A combinatorial
study of electrochemical anion intercalation into graphite,” Materials Research
Express, vol. 8, no. 8, Art. no. 085502, 2021, doi: 10.1088/2053-1591/ac1965.'
mla: Chugh, Manjusha, et al. “A Combinatorial Study of Electrochemical Anion Intercalation
into Graphite.” Materials Research Express, vol. 8, no. 8, 085502, IOP
Publishing, 2021, doi:10.1088/2053-1591/ac1965.
short: M. Chugh, M. Jain, G. Wang, A.S. Nia, H. Mirhosseini, T. Kühne, Materials
Research Express 8 (2021).
date_created: 2022-10-10T08:22:50Z
date_updated: 2022-10-10T08:23:07Z
department:
- _id: '613'
doi: 10.1088/2053-1591/ac1965
intvolume: ' 8'
issue: '8'
keyword:
- Metals and Alloys
- Polymers and Plastics
- Surfaces
- Coatings and Films
- Biomaterials
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
publication: Materials Research Express
publication_identifier:
issn:
- 2053-1591
publication_status: published
publisher: IOP Publishing
status: public
title: A combinatorial study of electrochemical anion intercalation into graphite
type: journal_article
user_id: '71051'
volume: 8
year: '2021'
...
---
_id: '33658'
abstract:
- lang: eng
text: We demonstrate how to fully ascribe Raman peaks simulated using ab
initio molecular dynamics to specific vibrations in the structure at finite temperatures
by means of Wannier functions. Here, we adopt our newly introduced method for
the simulation of the Raman spectra in which the total polarizability of the system
is expressed as a sum over Wannier polarizabilities. The assignment is then based
on the calculation of partial Raman activities arising from self- and/or cross-correlations
between different types of Wannier functions in the system. Different types of
Wannier functions can be distinguished based on their spatial spread. To demonstrate
the predictive power of this approach, we applied it to the case of a cyclohexane
molecule in the gas phase and were able to fully assign the simulated Raman peaks.
article_number: '1212'
author:
- first_name: Pouya
full_name: Partovi-Azar, Pouya
last_name: Partovi-Azar
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: 'Partovi-Azar P, Kühne T. Full Assignment of Ab-Initio Raman Spectra at Finite
Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule
in Gas Phase. Micromachines. 2021;12(10). doi:10.3390/mi12101212'
apa: 'Partovi-Azar, P., & Kühne, T. (2021). Full Assignment of Ab-Initio Raman
Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to
Cyclohexane Molecule in Gas Phase. Micromachines, 12(10), Article
1212. https://doi.org/10.3390/mi12101212'
bibtex: '@article{Partovi-Azar_Kühne_2021, title={Full Assignment of Ab-Initio Raman
Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to
Cyclohexane Molecule in Gas Phase}, volume={12}, DOI={10.3390/mi12101212},
number={101212}, journal={Micromachines}, publisher={MDPI AG}, author={Partovi-Azar,
Pouya and Kühne, Thomas}, year={2021} }'
chicago: 'Partovi-Azar, Pouya, and Thomas Kühne. “Full Assignment of Ab-Initio Raman
Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to
Cyclohexane Molecule in Gas Phase.” Micromachines 12, no. 10 (2021). https://doi.org/10.3390/mi12101212.'
ieee: 'P. Partovi-Azar and T. Kühne, “Full Assignment of Ab-Initio Raman Spectra
at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane
Molecule in Gas Phase,” Micromachines, vol. 12, no. 10, Art. no. 1212,
2021, doi: 10.3390/mi12101212.'
mla: 'Partovi-Azar, Pouya, and Thomas Kühne. “Full Assignment of Ab-Initio Raman
Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to
Cyclohexane Molecule in Gas Phase.” Micromachines, vol. 12, no. 10, 1212,
MDPI AG, 2021, doi:10.3390/mi12101212.'
short: P. Partovi-Azar, T. Kühne, Micromachines 12 (2021).
date_created: 2022-10-10T08:24:47Z
date_updated: 2022-10-10T08:24:57Z
department:
- _id: '613'
doi: 10.3390/mi12101212
intvolume: ' 12'
issue: '10'
keyword:
- Electrical and Electronic Engineering
- Mechanical Engineering
- Control and Systems Engineering
language:
- iso: eng
publication: Micromachines
publication_identifier:
issn:
- 2072-666X
publication_status: published
publisher: MDPI AG
status: public
title: 'Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier
Polarizabilities: Application to Cyclohexane Molecule in Gas Phase'
type: journal_article
user_id: '71051'
volume: 12
year: '2021'
...
---
_id: '33651'
author:
- first_name: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: Ivo F.
full_name: Teixeira, Ivo F.
last_name: Teixeira
- first_name: Aakash
full_name: Naik, Aakash
last_name: Naik
- first_name: Julian Joachim
full_name: Heske, Julian Joachim
id: '53238'
last_name: Heske
- first_name: Daniel
full_name: Cruz, Daniel
last_name: Cruz
- first_name: Markus
full_name: Antonietti, Markus
last_name: Antonietti
- first_name: Aleksandr
full_name: Savateev, Aleksandr
last_name: Savateev
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Sahoo SK, Teixeira IF, Naik A, et al. Photocatalytic Water Splitting Reaction
Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials.
The Journal of Physical Chemistry C. 2021;125(25):13749-13758. doi:10.1021/acs.jpcc.1c03947
apa: Sahoo, S. K., Teixeira, I. F., Naik, A., Heske, J. J., Cruz, D., Antonietti,
M., Savateev, A., & Kühne, T. (2021). Photocatalytic Water Splitting Reaction
Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials.
The Journal of Physical Chemistry C, 125(25), 13749–13758. https://doi.org/10.1021/acs.jpcc.1c03947
bibtex: '@article{Sahoo_Teixeira_Naik_Heske_Cruz_Antonietti_Savateev_Kühne_2021,
title={Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts
of Potassium Poly(heptazine imide) 2D Materials}, volume={125}, DOI={10.1021/acs.jpcc.1c03947},
number={25}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Sahoo, Sudhir K. and Teixeira, Ivo F. and Naik,
Aakash and Heske, Julian Joachim and Cruz, Daniel and Antonietti, Markus and Savateev,
Aleksandr and Kühne, Thomas}, year={2021}, pages={13749–13758} }'
chicago: 'Sahoo, Sudhir K., Ivo F. Teixeira, Aakash Naik, Julian Joachim Heske,
Daniel Cruz, Markus Antonietti, Aleksandr Savateev, and Thomas Kühne. “Photocatalytic
Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine
Imide) 2D Materials.” The Journal of Physical Chemistry C 125, no. 25 (2021):
13749–58. https://doi.org/10.1021/acs.jpcc.1c03947.'
ieee: 'S. K. Sahoo et al., “Photocatalytic Water Splitting Reaction Catalyzed
by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials,” The
Journal of Physical Chemistry C, vol. 125, no. 25, pp. 13749–13758, 2021,
doi: 10.1021/acs.jpcc.1c03947.'
mla: Sahoo, Sudhir K., et al. “Photocatalytic Water Splitting Reaction Catalyzed
by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” The
Journal of Physical Chemistry C, vol. 125, no. 25, American Chemical Society
(ACS), 2021, pp. 13749–58, doi:10.1021/acs.jpcc.1c03947.
short: S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A.
Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.
date_created: 2022-10-10T08:17:26Z
date_updated: 2022-10-10T08:18:22Z
department:
- _id: '613'
doi: 10.1021/acs.jpcc.1c03947
intvolume: ' 125'
issue: '25'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 13749-13758
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of
Potassium Poly(heptazine imide) 2D Materials
type: journal_article
user_id: '71051'
volume: 125
year: '2021'
...
---
_id: '33657'
article_number: '110567'
author:
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- first_name: Hossein
full_name: Tahmasbi, Hossein
last_name: Tahmasbi
- first_name: Sai Ram
full_name: Kuchana, Sai Ram
last_name: Kuchana
- first_name: Alireza
full_name: Ghasemi, Alireza
id: '77282'
last_name: Ghasemi
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Mirhosseini H, Tahmasbi H, Kuchana SR, Ghasemi A, Kühne T. An automated approach
for developing neural network interatomic potentials with FLAME. Computational
Materials Science. 2021;197. doi:10.1016/j.commatsci.2021.110567
apa: Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., & Kühne, T.
(2021). An automated approach for developing neural network interatomic potentials
with FLAME. Computational Materials Science, 197, Article 110567.
https://doi.org/10.1016/j.commatsci.2021.110567
bibtex: '@article{Mirhosseini_Tahmasbi_Kuchana_Ghasemi_Kühne_2021, title={An automated
approach for developing neural network interatomic potentials with FLAME}, volume={197},
DOI={10.1016/j.commatsci.2021.110567},
number={110567}, journal={Computational Materials Science}, publisher={Elsevier
BV}, author={Mirhosseini, Hossein and Tahmasbi, Hossein and Kuchana, Sai Ram and
Ghasemi, Alireza and Kühne, Thomas}, year={2021} }'
chicago: Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi,
and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic
Potentials with FLAME.” Computational Materials Science 197 (2021). https://doi.org/10.1016/j.commatsci.2021.110567.
ieee: 'H. Mirhosseini, H. Tahmasbi, S. R. Kuchana, A. Ghasemi, and T. Kühne, “An
automated approach for developing neural network interatomic potentials with FLAME,”
Computational Materials Science, vol. 197, Art. no. 110567, 2021, doi:
10.1016/j.commatsci.2021.110567.'
mla: Mirhosseini, Hossein, et al. “An Automated Approach for Developing Neural Network
Interatomic Potentials with FLAME.” Computational Materials Science, vol.
197, 110567, Elsevier BV, 2021, doi:10.1016/j.commatsci.2021.110567.
short: H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational
Materials Science 197 (2021).
date_created: 2022-10-10T08:23:50Z
date_updated: 2022-10-10T08:24:13Z
department:
- _id: '613'
doi: 10.1016/j.commatsci.2021.110567
intvolume: ' 197'
keyword:
- Computational Mathematics
- General Physics and Astronomy
- Mechanics of Materials
- General Materials Science
- General Chemistry
- General Computer Science
language:
- iso: eng
publication: Computational Materials Science
publication_identifier:
issn:
- 0927-0256
publication_status: published
publisher: Elsevier BV
status: public
title: An automated approach for developing neural network interatomic potentials
with FLAME
type: journal_article
user_id: '71051'
volume: 197
year: '2021'
...
---
_id: '33654'
author:
- first_name: Vasileios
full_name: Balos, Vasileios
last_name: Balos
- first_name: Hossam
full_name: Elgabarty, Hossam
id: '60250'
last_name: Elgabarty
orcid: 0000-0002-4945-1481
- first_name: Martin
full_name: Wolf, Martin
last_name: Wolf
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Roland
full_name: Netz, Roland
last_name: Netz
- first_name: Douwe Jan
full_name: Bonthuis, Douwe Jan
last_name: Bonthuis
- first_name: Naveen
full_name: Kaliannan, Naveen
last_name: Kaliannan
- first_name: Philip
full_name: Loche, Philip
last_name: Loche
- first_name: Tobias
full_name: Kampfrath, Tobias
last_name: Kampfrath
- first_name: Mohsen
full_name: Sajadi, Mohsen
last_name: Sajadi
citation:
ama: 'Balos V, Elgabarty H, Wolf M, et al. Ultrafast solvent-to-solvent and solvent-to-solute
energy transfer driven by single-cycle THz electric fields. In: Razeghi M, Baranov
AN, eds. Terahertz Emitters, Receivers, and Applications XII. SPIE; 2021.
doi:10.1117/12.2594143'
apa: Balos, V., Elgabarty, H., Wolf, M., Kühne, T., Netz, R., Bonthuis, D. J., Kaliannan,
N., Loche, P., Kampfrath, T., & Sajadi, M. (2021). Ultrafast solvent-to-solvent
and solvent-to-solute energy transfer driven by single-cycle THz electric fields.
In M. Razeghi & A. N. Baranov (Eds.), Terahertz Emitters, Receivers, and
Applications XII. SPIE. https://doi.org/10.1117/12.2594143
bibtex: '@inproceedings{Balos_Elgabarty_Wolf_Kühne_Netz_Bonthuis_Kaliannan_Loche_Kampfrath_Sajadi_2021,
title={Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven
by single-cycle THz electric fields}, DOI={10.1117/12.2594143},
booktitle={Terahertz Emitters, Receivers, and Applications XII}, publisher={SPIE},
author={Balos, Vasileios and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas
and Netz, Roland and Bonthuis, Douwe Jan and Kaliannan, Naveen and Loche, Philip
and Kampfrath, Tobias and Sajadi, Mohsen}, editor={Razeghi, Manijeh and Baranov,
Alexei N.}, year={2021} }'
chicago: Balos, Vasileios, Hossam Elgabarty, Martin Wolf, Thomas Kühne, Roland Netz,
Douwe Jan Bonthuis, Naveen Kaliannan, Philip Loche, Tobias Kampfrath, and Mohsen
Sajadi. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute Energy Transfer Driven
by Single-Cycle THz Electric Fields.” In Terahertz Emitters, Receivers, and
Applications XII, edited by Manijeh Razeghi and Alexei N. Baranov. SPIE, 2021.
https://doi.org/10.1117/12.2594143.
ieee: 'V. Balos et al., “Ultrafast solvent-to-solvent and solvent-to-solute
energy transfer driven by single-cycle THz electric fields,” in Terahertz Emitters,
Receivers, and Applications XII, 2021, doi: 10.1117/12.2594143.'
mla: Balos, Vasileios, et al. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute
Energy Transfer Driven by Single-Cycle THz Electric Fields.” Terahertz Emitters,
Receivers, and Applications XII, edited by Manijeh Razeghi and Alexei N. Baranov,
SPIE, 2021, doi:10.1117/12.2594143.
short: 'V. Balos, H. Elgabarty, M. Wolf, T. Kühne, R. Netz, D.J. Bonthuis, N. Kaliannan,
P. Loche, T. Kampfrath, M. Sajadi, in: M. Razeghi, A.N. Baranov (Eds.), Terahertz
Emitters, Receivers, and Applications XII, SPIE, 2021.'
date_created: 2022-10-10T08:21:46Z
date_updated: 2022-10-10T08:22:17Z
department:
- _id: '613'
doi: 10.1117/12.2594143
editor:
- first_name: Manijeh
full_name: Razeghi, Manijeh
last_name: Razeghi
- first_name: Alexei N.
full_name: Baranov, Alexei N.
last_name: Baranov
language:
- iso: eng
publication: Terahertz Emitters, Receivers, and Applications XII
publication_status: published
publisher: SPIE
status: public
title: Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by
single-cycle THz electric fields
type: conference
user_id: '71051'
year: '2021'
...
---
_id: '33656'
author:
- first_name: Mengying
full_name: Wang, Mengying
last_name: Wang
- first_name: Ahmad
full_name: Ranjbar, Ahmad
last_name: Ranjbar
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Rodion V.
full_name: Belosludov, Rodion V.
last_name: Belosludov
- first_name: Yoshiyuki
full_name: Kawazoe, Yoshiyuki
last_name: Kawazoe
- first_name: Yunye
full_name: Liang, Yunye
last_name: Liang
citation:
ama: 'Wang M, Ranjbar A, Kühne T, Belosludov RV, Kawazoe Y, Liang Y. A theoretical
investigation of topological phase modulation in carbide MXenes: Role of image
potential states. Carbon. 2021;181:370-378. doi:10.1016/j.carbon.2021.05.026'
apa: 'Wang, M., Ranjbar, A., Kühne, T., Belosludov, R. V., Kawazoe, Y., & Liang,
Y. (2021). A theoretical investigation of topological phase modulation in carbide
MXenes: Role of image potential states. Carbon, 181, 370–378. https://doi.org/10.1016/j.carbon.2021.05.026'
bibtex: '@article{Wang_Ranjbar_Kühne_Belosludov_Kawazoe_Liang_2021, title={A theoretical
investigation of topological phase modulation in carbide MXenes: Role of image
potential states}, volume={181}, DOI={10.1016/j.carbon.2021.05.026},
journal={Carbon}, publisher={Elsevier BV}, author={Wang, Mengying and Ranjbar,
Ahmad and Kühne, Thomas and Belosludov, Rodion V. and Kawazoe, Yoshiyuki and Liang,
Yunye}, year={2021}, pages={370–378} }'
chicago: 'Wang, Mengying, Ahmad Ranjbar, Thomas Kühne, Rodion V. Belosludov, Yoshiyuki
Kawazoe, and Yunye Liang. “A Theoretical Investigation of Topological Phase Modulation
in Carbide MXenes: Role of Image Potential States.” Carbon 181 (2021):
370–78. https://doi.org/10.1016/j.carbon.2021.05.026.'
ieee: 'M. Wang, A. Ranjbar, T. Kühne, R. V. Belosludov, Y. Kawazoe, and Y. Liang,
“A theoretical investigation of topological phase modulation in carbide MXenes:
Role of image potential states,” Carbon, vol. 181, pp. 370–378, 2021, doi:
10.1016/j.carbon.2021.05.026.'
mla: 'Wang, Mengying, et al. “A Theoretical Investigation of Topological Phase Modulation
in Carbide MXenes: Role of Image Potential States.” Carbon, vol. 181, Elsevier
BV, 2021, pp. 370–78, doi:10.1016/j.carbon.2021.05.026.'
short: M. Wang, A. Ranjbar, T. Kühne, R.V. Belosludov, Y. Kawazoe, Y. Liang, Carbon
181 (2021) 370–378.
date_created: 2022-10-10T08:23:22Z
date_updated: 2022-10-10T08:23:35Z
department:
- _id: '613'
doi: 10.1016/j.carbon.2021.05.026
intvolume: ' 181'
keyword:
- General Chemistry
- General Materials Science
language:
- iso: eng
page: 370-378
publication: Carbon
publication_identifier:
issn:
- 0008-6223
publication_status: published
publisher: Elsevier BV
status: public
title: 'A theoretical investigation of topological phase modulation in carbide MXenes:
Role of image potential states'
type: journal_article
user_id: '71051'
volume: 181
year: '2021'
...
---
_id: '33659'
abstract:
- lang: eng
text: "Abstract\r\n We performed
a virtual materials screening to identify promising topological materials for
photocatalytic water splitting under visible light irradiation. Topological compounds
were screened based on band gap, band edge energy, and thermodynamics stability
criteria. In addition, topological types for our final candidates were computed
based on electronic structures calculated usingthe hybrid density functional theory
including exact Hartree–Fock exchange. Our final list contains materials which
have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable
for water oxidation and reduction. However, the topological types of these compounds
calculated with the hybrid functional differ from those reported previously. To
that end, we discuss the importance of computational methods for the calculation
of atomic and electronic structures in materials screening processes."
article_number: '015001'
author:
- first_name: Ahmad
full_name: Ranjbar, Ahmad
last_name: Ranjbar
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: 'Ranjbar A, Mirhosseini H, Kühne T. On topological materials as photocatalysts
for water splitting by visible light. Journal of Physics: Materials. 2021;5(1).
doi:10.1088/2515-7639/ac363d'
apa: 'Ranjbar, A., Mirhosseini, H., & Kühne, T. (2021). On topological materials
as photocatalysts for water splitting by visible light. Journal of Physics:
Materials, 5(1), Article 015001. https://doi.org/10.1088/2515-7639/ac363d'
bibtex: '@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials
as photocatalysts for water splitting by visible light}, volume={5}, DOI={10.1088/2515-7639/ac363d},
number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing},
author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas}, year={2021}
}'
chicago: 'Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas Kühne. “On Topological
Materials as Photocatalysts for Water Splitting by Visible Light.” Journal
of Physics: Materials 5, no. 1 (2021). https://doi.org/10.1088/2515-7639/ac363d.'
ieee: 'A. Ranjbar, H. Mirhosseini, and T. Kühne, “On topological materials as photocatalysts
for water splitting by visible light,” Journal of Physics: Materials, vol.
5, no. 1, Art. no. 015001, 2021, doi: 10.1088/2515-7639/ac363d.'
mla: 'Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water
Splitting by Visible Light.” Journal of Physics: Materials, vol. 5, no.
1, 015001, IOP Publishing, 2021, doi:10.1088/2515-7639/ac363d.'
short: 'A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021).'
date_created: 2022-10-10T08:25:19Z
date_updated: 2022-10-10T08:25:30Z
department:
- _id: '613'
doi: 10.1088/2515-7639/ac363d
intvolume: ' 5'
issue: '1'
keyword:
- Condensed Matter Physics
- General Materials Science
- Atomic and Molecular Physics
- and Optics
language:
- iso: eng
publication: 'Journal of Physics: Materials'
publication_identifier:
issn:
- 2515-7639
publication_status: published
publisher: IOP Publishing
status: public
title: On topological materials as photocatalysts for water splitting by visible light
type: journal_article
user_id: '71051'
volume: 5
year: '2021'
...