---
_id: '46023'
abstract:
- lang: eng
text: This article presents the potential-dependent adsorption of two proteins,
bovine serum albumin (BSA) and lysozyme (LYZ), on Ti6Al4V alloy at pH 7.4 and
37 °C. The adsorption process was studied on an electropolished alloy under cathodic
and anodic overpotentials, compared to the open circuit potential (OCP). To analyze
the adsorption process, various complementary interface analytical techniques
were employed, including PM-IRRAS (polarization-modulation infrared reflection-absorption
spectroscopy), AFM (atomic force microscopy), XPS (X-ray photoelectron spectroscopy),
and E-QCM (electrochemical quartz crystal microbalance) measurements. The polarization
experiments were conducted within a potential range where charging of the electric
double layer dominates, and Faradaic currents can be disregarded. The findings
highlight the significant influence of the interfacial charge distribution on
the adsorption of BSA and LYZ onto the alloy surface. Furthermore, electrochemical
analysis of the protein layers formed under applied overpotentials demonstrated
improved corrosion protection properties. These studies provide valuable insights
into protein adsorption on titanium alloys under physiological conditions, characterized
by varying potentials of the passive alloy.
article_number: '5109'
author:
- first_name: Belma
full_name: Duderija, Belma
last_name: Duderija
- first_name: Alejandro
full_name: González-Orive, Alejandro
last_name: González-Orive
- first_name: Christoph
full_name: Ebbert, Christoph
last_name: Ebbert
- first_name: Vanessa
full_name: Neßlinger, Vanessa
last_name: Neßlinger
- first_name: Adrian
full_name: Keller, Adrian
last_name: Keller
- first_name: Guido
full_name: Grundmeier, Guido
last_name: Grundmeier
citation:
ama: Duderija B, González-Orive A, Ebbert C, Neßlinger V, Keller A, Grundmeier G.
Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy.
Molecules. 2023;28(13). doi:10.3390/molecules28135109
apa: Duderija, B., González-Orive, A., Ebbert, C., Neßlinger, V., Keller, A., &
Grundmeier, G. (2023). Electrode Potential-Dependent Studies of Protein Adsorption
on Ti6Al4V Alloy. Molecules, 28(13), Article 5109. https://doi.org/10.3390/molecules28135109
bibtex: '@article{Duderija_González-Orive_Ebbert_Neßlinger_Keller_Grundmeier_2023,
title={Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V
Alloy}, volume={28}, DOI={10.3390/molecules28135109},
number={135109}, journal={Molecules}, publisher={MDPI AG}, author={Duderija, Belma
and González-Orive, Alejandro and Ebbert, Christoph and Neßlinger, Vanessa and
Keller, Adrian and Grundmeier, Guido}, year={2023} }'
chicago: Duderija, Belma, Alejandro González-Orive, Christoph Ebbert, Vanessa Neßlinger,
Adrian Keller, and Guido Grundmeier. “Electrode Potential-Dependent Studies of
Protein Adsorption on Ti6Al4V Alloy.” Molecules 28, no. 13 (2023). https://doi.org/10.3390/molecules28135109.
ieee: 'B. Duderija, A. González-Orive, C. Ebbert, V. Neßlinger, A. Keller, and G.
Grundmeier, “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V
Alloy,” Molecules, vol. 28, no. 13, Art. no. 5109, 2023, doi: 10.3390/molecules28135109.'
mla: Duderija, Belma, et al. “Electrode Potential-Dependent Studies of Protein Adsorption
on Ti6Al4V Alloy.” Molecules, vol. 28, no. 13, 5109, MDPI AG, 2023, doi:10.3390/molecules28135109.
short: B. Duderija, A. González-Orive, C. Ebbert, V. Neßlinger, A. Keller, G. Grundmeier,
Molecules 28 (2023).
date_created: 2023-07-12T07:55:40Z
date_updated: 2024-02-06T12:33:55Z
department:
- _id: '321'
- _id: '302'
doi: 10.3390/molecules28135109
intvolume: ' 28'
issue: '13'
keyword:
- Chemistry (miscellaneous)
- Analytical Chemistry
- Organic Chemistry
- Physical and Theoretical Chemistry
- Molecular Medicine
- Drug Discovery
- Pharmaceutical Science
language:
- iso: eng
publication: Molecules
publication_identifier:
issn:
- 1420-3049
publication_status: published
publisher: MDPI AG
status: public
title: Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy
type: journal_article
user_id: '54863'
volume: 28
year: '2023'
...
---
_id: '51167'
article_number: '100181'
author:
- first_name: B.
full_name: Duderija, B.
last_name: Duderija
- first_name: F.
full_name: Sahin, F.
last_name: Sahin
- first_name: D.
full_name: Meinderink, D.
last_name: Meinderink
- first_name: J.C.
full_name: Calderón-Gómez, J.C.
last_name: Calderón-Gómez
- first_name: H.C.
full_name: Schmidt, H.C.
last_name: Schmidt
- first_name: W.
full_name: Homberg, W.
last_name: Homberg
- first_name: G.
full_name: Grundmeier, G.
last_name: Grundmeier
- first_name: A.
full_name: González-Orive, A.
last_name: González-Orive
citation:
ama: Duderija B, Sahin F, Meinderink D, et al. Electropolymerization of acrylic
acid on steel for enhanced joining by plastic deformation. Journal of Advanced
Joining Processes. 2023;9. doi:10.1016/j.jajp.2023.100181
apa: Duderija, B., Sahin, F., Meinderink, D., Calderón-Gómez, J. C., Schmidt, H.
C., Homberg, W., Grundmeier, G., & González-Orive, A. (2023). Electropolymerization
of acrylic acid on steel for enhanced joining by plastic deformation. Journal
of Advanced Joining Processes, 9, Article 100181. https://doi.org/10.1016/j.jajp.2023.100181
bibtex: '@article{Duderija_Sahin_Meinderink_Calderón-Gómez_Schmidt_Homberg_Grundmeier_González-Orive_2023,
title={Electropolymerization of acrylic acid on steel for enhanced joining by
plastic deformation}, volume={9}, DOI={10.1016/j.jajp.2023.100181},
number={100181}, journal={Journal of Advanced Joining Processes}, publisher={Elsevier
BV}, author={Duderija, B. and Sahin, F. and Meinderink, D. and Calderón-Gómez,
J.C. and Schmidt, H.C. and Homberg, W. and Grundmeier, G. and González-Orive,
A.}, year={2023} }'
chicago: Duderija, B., F. Sahin, D. Meinderink, J.C. Calderón-Gómez, H.C. Schmidt,
W. Homberg, G. Grundmeier, and A. González-Orive. “Electropolymerization of Acrylic
Acid on Steel for Enhanced Joining by Plastic Deformation.” Journal of Advanced
Joining Processes 9 (2023). https://doi.org/10.1016/j.jajp.2023.100181.
ieee: 'B. Duderija et al., “Electropolymerization of acrylic acid on steel
for enhanced joining by plastic deformation,” Journal of Advanced Joining Processes,
vol. 9, Art. no. 100181, 2023, doi: 10.1016/j.jajp.2023.100181.'
mla: Duderija, B., et al. “Electropolymerization of Acrylic Acid on Steel for Enhanced
Joining by Plastic Deformation.” Journal of Advanced Joining Processes,
vol. 9, 100181, Elsevier BV, 2023, doi:10.1016/j.jajp.2023.100181.
short: B. Duderija, F. Sahin, D. Meinderink, J.C. Calderón-Gómez, H.C. Schmidt,
W. Homberg, G. Grundmeier, A. González-Orive, Journal of Advanced Joining Processes
9 (2023).
date_created: 2024-02-06T12:29:53Z
date_updated: 2024-02-06T12:32:37Z
department:
- _id: '321'
- _id: '302'
doi: 10.1016/j.jajp.2023.100181
intvolume: ' 9'
keyword:
- Mechanical Engineering
- Mechanics of Materials
- Engineering (miscellaneous)
- Chemical Engineering (miscellaneous)
language:
- iso: eng
publication: Journal of Advanced Joining Processes
publication_identifier:
issn:
- 2666-3309
publication_status: published
publisher: Elsevier BV
status: public
title: Electropolymerization of acrylic acid on steel for enhanced joining by plastic
deformation
type: journal_article
user_id: '54863'
volume: 9
year: '2023'
...
---
_id: '45598'
author:
- first_name: Heiko
full_name: Meier, Heiko
id: '21765'
last_name: Meier
- first_name: Lisa
full_name: Sennefelder, Lisa
last_name: Sennefelder
citation:
ama: 'Meier H, Sennefelder L. Gesundheitsmanagement: Gesunde Mitarbeiter - gesunder
Betrieb? markt&wirtschaft. 2023;(6):32-33.'
apa: 'Meier, H., & Sennefelder, L. (2023). Gesundheitsmanagement: Gesunde Mitarbeiter
- gesunder Betrieb? markt&wirtschaft, 6, 32–33.'
bibtex: '@article{Meier_Sennefelder_2023, title={Gesundheitsmanagement: Gesunde
Mitarbeiter - gesunder Betrieb?}, number={6}, journal={markt&wirtschaft},
publisher={PBL Media Verlag}, author={Meier, Heiko and Sennefelder, Lisa}, year={2023},
pages={32–33} }'
chicago: 'Meier, Heiko, and Lisa Sennefelder. “Gesundheitsmanagement: Gesunde Mitarbeiter
- gesunder Betrieb?” markt&wirtschaft, no. 6 (2023): 32–33.'
ieee: 'H. Meier and L. Sennefelder, “Gesundheitsmanagement: Gesunde Mitarbeiter
- gesunder Betrieb?,” markt&wirtschaft, no. 6, pp. 32–33, 2023.'
mla: 'Meier, Heiko, and Lisa Sennefelder. “Gesundheitsmanagement: Gesunde Mitarbeiter
- gesunder Betrieb?” markt&wirtschaft, no. 6, PBL Media Verlag, 2023,
pp. 32–33.'
short: H. Meier, L. Sennefelder, markt&wirtschaft (2023) 32–33.
date_created: 2023-06-13T10:13:23Z
date_updated: 2024-02-27T13:02:14Z
department:
- _id: '43'
- _id: '175'
issue: '6'
language:
- iso: ger
page: 32-33
popular_science: '1'
publication: markt&wirtschaft
publication_status: published
publisher: PBL Media Verlag
status: public
title: 'Gesundheitsmanagement: Gesunde Mitarbeiter - gesunder Betrieb?'
type: journal_article
user_id: '96222'
year: '2023'
...
---
_id: '47527'
author:
- first_name: Lisa
full_name: Sennefelder, Lisa
id: '23009'
last_name: Sennefelder
citation:
ama: 'Sennefelder L. Sportliche Angebote zur Förderung von Vertrauen in öffentlichen
Verwaltungen. In: ; 2023.'
apa: Sennefelder, L. (2023). Sportliche Angebote zur Förderung von Vertrauen
in öffentlichen Verwaltungen. dvs Hochschultag, Bochum.
bibtex: '@inproceedings{Sennefelder_2023, title={Sportliche Angebote zur Förderung
von Vertrauen in öffentlichen Verwaltungen}, author={Sennefelder, Lisa}, year={2023}
}'
chicago: Sennefelder, Lisa. “Sportliche Angebote zur Förderung von Vertrauen in
öffentlichen Verwaltungen,” 2023.
ieee: L. Sennefelder, “Sportliche Angebote zur Förderung von Vertrauen in öffentlichen
Verwaltungen,” presented at the dvs Hochschultag, Bochum, 2023.
mla: Sennefelder, Lisa. Sportliche Angebote zur Förderung von Vertrauen in öffentlichen
Verwaltungen. 2023.
short: 'L. Sennefelder, in: 2023.'
conference:
location: Bochum
name: dvs Hochschultag
date_created: 2023-09-28T14:35:28Z
date_updated: 2024-02-27T13:15:30Z
department:
- _id: '175'
language:
- iso: ger
status: public
title: Sportliche Angebote zur Förderung von Vertrauen in öffentlichen Verwaltungen
type: conference
user_id: '23009'
year: '2023'
...
---
_id: '52122'
article_number: '043152'
author:
- first_name: Usman
full_name: Ali, Usman
last_name: Ali
- first_name: Martin
full_name: Holthaus, Martin
last_name: Holthaus
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
citation:
ama: Ali U, Holthaus M, Meier T. Chirped Bloch-harmonic oscillations in a parametrically
forced optical lattice. Physical Review Research. 2023;5(4). doi:10.1103/physrevresearch.5.043152
apa: Ali, U., Holthaus, M., & Meier, T. (2023). Chirped Bloch-harmonic oscillations
in a parametrically forced optical lattice. Physical Review Research, 5(4),
Article 043152. https://doi.org/10.1103/physrevresearch.5.043152
bibtex: '@article{Ali_Holthaus_Meier_2023, title={Chirped Bloch-harmonic oscillations
in a parametrically forced optical lattice}, volume={5}, DOI={10.1103/physrevresearch.5.043152},
number={4043152}, journal={Physical Review Research}, publisher={American Physical
Society (APS)}, author={Ali, Usman and Holthaus, Martin and Meier, Torsten}, year={2023}
}'
chicago: Ali, Usman, Martin Holthaus, and Torsten Meier. “Chirped Bloch-Harmonic
Oscillations in a Parametrically Forced Optical Lattice.” Physical Review Research
5, no. 4 (2023). https://doi.org/10.1103/physrevresearch.5.043152.
ieee: 'U. Ali, M. Holthaus, and T. Meier, “Chirped Bloch-harmonic oscillations in
a parametrically forced optical lattice,” Physical Review Research, vol.
5, no. 4, Art. no. 043152, 2023, doi: 10.1103/physrevresearch.5.043152.'
mla: Ali, Usman, et al. “Chirped Bloch-Harmonic Oscillations in a Parametrically
Forced Optical Lattice.” Physical Review Research, vol. 5, no. 4, 043152,
American Physical Society (APS), 2023, doi:10.1103/physrevresearch.5.043152.
short: U. Ali, M. Holthaus, T. Meier, Physical Review Research 5 (2023).
date_created: 2024-02-27T13:57:01Z
date_updated: 2024-02-28T12:53:40Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
doi: 10.1103/physrevresearch.5.043152
intvolume: ' 5'
issue: '4'
keyword:
- General Physics and Astronomy
language:
- iso: eng
publication: Physical Review Research
publication_identifier:
issn:
- 2643-1564
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Chirped Bloch-harmonic oscillations in a parametrically forced optical lattice
type: journal_article
user_id: '16199'
volume: 5
year: '2023'
...
---
_id: '46779'
author:
- first_name: Lisa
full_name: Sennefelder, Lisa
id: '23009'
last_name: Sennefelder
citation:
ama: 'Sennefelder L. Rezension zu: Bette, K.-H. & Kühnle, F.: Flitzer im Sport
– Zur Sozialfigur des Störenfrieds. Sport und Gesellschaft. 2023;20(3):319-323.'
apa: 'Sennefelder, L. (2023). Rezension zu: Bette, K.-H. & Kühnle, F.: Flitzer
im Sport – Zur Sozialfigur des Störenfrieds. In Sport und Gesellschaft
(Vol. 20, Issue 3, pp. 319–323).'
bibtex: '@article{Sennefelder_2023, title={Rezension zu: Bette, K.-H. & Kühnle,
F.: Flitzer im Sport – Zur Sozialfigur des Störenfrieds}, volume={20}, number={3},
journal={Sport und Gesellschaft}, author={Sennefelder, Lisa}, year={2023}, pages={319–323}
}'
chicago: 'Sennefelder, Lisa. “Rezension zu: Bette, K.-H. & Kühnle, F.: Flitzer
im Sport – Zur Sozialfigur des Störenfrieds.” Sport und Gesellschaft, 2023.'
ieee: 'L. Sennefelder, “Rezension zu: Bette, K.-H. & Kühnle, F.: Flitzer im
Sport – Zur Sozialfigur des Störenfrieds,” Sport und Gesellschaft, vol.
20, no. 3. pp. 319–323, 2023.'
mla: 'Sennefelder, Lisa. “Rezension zu: Bette, K.-H. & Kühnle, F.: Flitzer im
Sport – Zur Sozialfigur des Störenfrieds.” Sport und Gesellschaft, vol.
20, no. 3, 2023, pp. 319–23.'
short: L. Sennefelder, Sport und Gesellschaft 20 (2023) 319–323.
date_created: 2023-09-04T10:22:27Z
date_updated: 2024-03-05T09:52:57Z
department:
- _id: '175'
intvolume: ' 20'
issue: '3'
language:
- iso: ger
page: '319-323 '
publication: Sport und Gesellschaft
status: public
title: 'Rezension zu: Bette, K.-H. & Kühnle, F.: Flitzer im Sport – Zur Sozialfigur
des Störenfrieds'
type: review
user_id: '23009'
volume: 20
year: '2023'
...
---
_id: '52345'
abstract:
- lang: eng
text: Photoactive chromium(III) complexes saw a conceptual breakthrough with the
discovery of the prototypical molecular ruby mer-[Cr(ddpd)2]3+ (ddpd = N,N′-dimethyl-N,N′-dipyridin-2-ylpyridine-2,6-diamine),
which shows intense long-lived near-infrared (NIR) phosphorescence from metal-centered
spin-flip states. In contrast to the numerous studies on chromium(III) photophysics,
only 10 luminescent molybdenum(III) complexes have been reported so far. Here,
we present the synthesis and characterization of mer-MoX3(ddpd) (1, X = Cl; 2,
X = Br) and cisfac-[Mo(ddpd)2]3+ (cisfac-[3]3+), an isomeric heavy homologue of
the prototypical molecular ruby. For cisfac-[3]3+, we found strong zero-field
splitting using magnetic susceptibility measurements and electron paramagnetic
resonance spectroscopy. Electronic spectra covering the spin-forbidden transitions
show that the spin-flip states in mer-1, mer-2, and cisfac-[3]3+ are much lower
in energy than those in comparable chromium(III) compounds. While all three complexes
show weak spin-flip phosphorescence in NIR-II, the emission of cisfac-[3]3+ peaking
at 1550 nm is particularly low in energy. Femtosecond transient absorption spectroscopy
reveals a short excited-state lifetime of 1.4 ns, 6 orders of magnitude shorter
than that of mer-[Cr(ddpd)2]3+. Using density functional theory and ab initio
multireference calculations, we break down the reasons for this disparity and
derive principles for the design of future stable photoactive molybdenum(III)
complexes.
article_type: original
author:
- first_name: Winald R.
full_name: Kitzmann, Winald R.
last_name: Kitzmann
- first_name: David
full_name: Hunger, David
last_name: Hunger
- first_name: Antti-Pekka M.
full_name: Reponen, Antti-Pekka M.
last_name: Reponen
- first_name: Christoph
full_name: Förster, Christoph
last_name: Förster
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Sascha
full_name: Feldmann, Sascha
last_name: Feldmann
- first_name: Joris
full_name: van Slageren, Joris
last_name: van Slageren
- first_name: Katja
full_name: Heinze, Katja
last_name: Heinze
citation:
ama: Kitzmann WR, Hunger D, Reponen A-PM, et al. Electronic Structure and Excited-State
Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby.
Inorganic Chemistry. 2023;62(39):15797-15808. doi:10.1021/acs.inorgchem.3c02186
apa: Kitzmann, W. R., Hunger, D., Reponen, A.-P. M., Förster, C., Schoch, R., Bauer,
M., Feldmann, S., van Slageren, J., & Heinze, K. (2023). Electronic Structure
and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to
the Molecular Ruby. Inorganic Chemistry, 62(39), 15797–15808. https://doi.org/10.1021/acs.inorgchem.3c02186
bibtex: '@article{Kitzmann_Hunger_Reponen_Förster_Schoch_Bauer_Feldmann_van Slageren_Heinze_2023,
title={Electronic Structure and Excited-State Dynamics of the NIR-II Emissive
Molybdenum(III) Analogue to the Molecular Ruby}, volume={62}, DOI={10.1021/acs.inorgchem.3c02186},
number={39}, journal={Inorganic Chemistry}, publisher={American Chemical Society
(ACS)}, author={Kitzmann, Winald R. and Hunger, David and Reponen, Antti-Pekka
M. and Förster, Christoph and Schoch, Roland and Bauer, Matthias and Feldmann,
Sascha and van Slageren, Joris and Heinze, Katja}, year={2023}, pages={15797–15808}
}'
chicago: 'Kitzmann, Winald R., David Hunger, Antti-Pekka M. Reponen, Christoph Förster,
Roland Schoch, Matthias Bauer, Sascha Feldmann, Joris van Slageren, and Katja
Heinze. “Electronic Structure and Excited-State Dynamics of the NIR-II Emissive
Molybdenum(III) Analogue to the Molecular Ruby.” Inorganic Chemistry 62,
no. 39 (2023): 15797–808. https://doi.org/10.1021/acs.inorgchem.3c02186.'
ieee: 'W. R. Kitzmann et al., “Electronic Structure and Excited-State Dynamics
of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby,” Inorganic
Chemistry, vol. 62, no. 39, pp. 15797–15808, 2023, doi: 10.1021/acs.inorgchem.3c02186.'
mla: Kitzmann, Winald R., et al. “Electronic Structure and Excited-State Dynamics
of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby.” Inorganic
Chemistry, vol. 62, no. 39, American Chemical Society (ACS), 2023, pp. 15797–808,
doi:10.1021/acs.inorgchem.3c02186.
short: W.R. Kitzmann, D. Hunger, A.-P.M. Reponen, C. Förster, R. Schoch, M. Bauer,
S. Feldmann, J. van Slageren, K. Heinze, Inorganic Chemistry 62 (2023) 15797–15808.
date_created: 2024-03-07T09:57:30Z
date_updated: 2024-03-07T10:02:58Z
department:
- _id: '306'
doi: 10.1021/acs.inorgchem.3c02186
intvolume: ' 62'
issue: '39'
keyword:
- Inorganic Chemistry
- Physical and Theoretical Chemistry
language:
- iso: eng
page: 15797-15808
publication: Inorganic Chemistry
publication_identifier:
issn:
- 0020-1669
- 1520-510X
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III)
Analogue to the Molecular Ruby
type: journal_article
user_id: '48467'
volume: 62
year: '2023'
...
---
_id: '52358'
author:
- first_name: Malte
full_name: Diederich, Malte
last_name: Diederich
- first_name: Verena
full_name: Spatz, Verena
last_name: Spatz
- first_name: Anna Brigitte
full_name: Bauer, Anna Brigitte
id: '24755'
last_name: Bauer
orcid: 0000-0002-1742-3099
citation:
ama: Diederich M, Spatz V, Bauer AB. Auswirkungen einer Online-Intervention (Mindset,
Lerntechniken) auf den Studieneinstieg. Phydid B, Didaktik der Physik, Beiträge
zur DPG-Frühjahrstagung (2022). Published online 2023.
apa: Diederich, M., Spatz, V., & Bauer, A. B. (2023). Auswirkungen einer Online-Intervention
(Mindset, Lerntechniken) auf den Studieneinstieg. Phydid B, Didaktik der Physik,
Beiträge zur DPG-Frühjahrstagung (2022).
bibtex: '@article{Diederich_Spatz_Bauer_2023, title={Auswirkungen einer Online-Intervention
(Mindset, Lerntechniken) auf den Studieneinstieg}, journal={Phydid B, Didaktik
der Physik, Beiträge zur DPG-Frühjahrstagung (2022)}, author={Diederich, Malte
and Spatz, Verena and Bauer, Anna Brigitte}, year={2023} }'
chicago: Diederich, Malte, Verena Spatz, and Anna Brigitte Bauer. “Auswirkungen
einer Online-Intervention (Mindset, Lerntechniken) auf den Studieneinstieg.” Phydid
B, Didaktik der Physik, Beiträge zur DPG-Frühjahrstagung (2022), 2023.
ieee: M. Diederich, V. Spatz, and A. B. Bauer, “Auswirkungen einer Online-Intervention
(Mindset, Lerntechniken) auf den Studieneinstieg,” Phydid B, Didaktik der Physik,
Beiträge zur DPG-Frühjahrstagung (2022), 2023.
mla: Diederich, Malte, et al. “Auswirkungen einer Online-Intervention (Mindset,
Lerntechniken) auf den Studieneinstieg.” Phydid B, Didaktik der Physik, Beiträge
zur DPG-Frühjahrstagung (2022), 2023.
short: M. Diederich, V. Spatz, A.B. Bauer, Phydid B, Didaktik der Physik, Beiträge
zur DPG-Frühjahrstagung (2022) (2023).
date_created: 2024-03-07T14:03:12Z
date_updated: 2024-03-07T14:03:27Z
department:
- _id: '299'
- _id: '651'
language:
- iso: ger
main_file_link:
- open_access: '1'
url: https://ojs.dpg-physik.de/index.php/phydid-b/article/view/1333
oa: '1'
publication: Phydid B, Didaktik der Physik, Beiträge zur DPG-Frühjahrstagung (2022)
publication_status: published
status: public
title: Auswirkungen einer Online-Intervention (Mindset, Lerntechniken) auf den Studieneinstieg
type: journal_article
user_id: '24755'
year: '2023'
...
---
_id: '52542'
abstract:
- lang: eng
text: 'AbstractWe report on so‐called “hidden FLPs”
(FLP: frustrated Lewis pair) consisting of a phosphorus ylide featuring a group
13 fragment in the ortho position of a phenyl ring
scaffold to form five‐membered ring structures. Although the formation of the
Lewis acid/base adducts was observed in the solid state, most of the title compounds
readily react with carbon dioxide to provide stable insertion products. Strikingly,
0.3–3.0 mol% of the reported aluminum and gallium/carbon‐based ambiphiles catalyze
the reduction of CO2 to methanol with satisfactory high selectivity
and yields using pinacol borane as stoichiometric reduction equivalent. Comprehensive
computational studies provided valuable mechanistic insights and shed more light
on activity differences.'
author:
- first_name: Felix
full_name: Krämer, Felix
last_name: Krämer
- first_name: Jan
full_name: Paradies, Jan
id: '53339'
last_name: Paradies
orcid: 0000-0002-3698-668X
- first_name: Israel
full_name: Fernández, Israel
last_name: Fernández
- first_name: Frank
full_name: Breher, Frank
last_name: Breher
citation:
ama: 'Krämer F, Paradies J, Fernández I, Breher F. Quo Vadis CO2 Activation:
Catalytic Reduction of CO2 to Methanol Using Aluminum and Gallium/Carbon‐based
Ambiphiles. Chemistry – A European Journal. 2023;30(5). doi:10.1002/chem.202303380'
apa: 'Krämer, F., Paradies, J., Fernández, I., & Breher, F. (2023). Quo Vadis
CO2 Activation: Catalytic Reduction of CO2 to Methanol Using
Aluminum and Gallium/Carbon‐based Ambiphiles. Chemistry – A European Journal,
30(5). https://doi.org/10.1002/chem.202303380'
bibtex: '@article{Krämer_Paradies_Fernández_Breher_2023, title={Quo Vadis CO2
Activation: Catalytic Reduction of CO2 to Methanol Using Aluminum and
Gallium/Carbon‐based Ambiphiles}, volume={30}, DOI={10.1002/chem.202303380},
number={5}, journal={Chemistry – A European Journal}, publisher={Wiley}, author={Krämer,
Felix and Paradies, Jan and Fernández, Israel and Breher, Frank}, year={2023}
}'
chicago: 'Krämer, Felix, Jan Paradies, Israel Fernández, and Frank Breher. “Quo
Vadis CO2 Activation: Catalytic Reduction of CO2 to Methanol
Using Aluminum and Gallium/Carbon‐based Ambiphiles.” Chemistry – A European
Journal 30, no. 5 (2023). https://doi.org/10.1002/chem.202303380.'
ieee: 'F. Krämer, J. Paradies, I. Fernández, and F. Breher, “Quo Vadis CO2
Activation: Catalytic Reduction of CO2 to Methanol Using Aluminum and
Gallium/Carbon‐based Ambiphiles,” Chemistry – A European Journal, vol.
30, no. 5, 2023, doi: 10.1002/chem.202303380.'
mla: 'Krämer, Felix, et al. “Quo Vadis CO2 Activation: Catalytic Reduction
of CO2 to Methanol Using Aluminum and Gallium/Carbon‐based Ambiphiles.”
Chemistry – A European Journal, vol. 30, no. 5, Wiley, 2023, doi:10.1002/chem.202303380.'
short: F. Krämer, J. Paradies, I. Fernández, F. Breher, Chemistry – A European Journal
30 (2023).
date_created: 2024-03-13T17:17:52Z
date_updated: 2024-03-13T17:18:17Z
department:
- _id: '2'
- _id: '389'
doi: 10.1002/chem.202303380
intvolume: ' 30'
issue: '5'
keyword:
- General Chemistry
- Catalysis
- Organic Chemistry
language:
- iso: eng
publication: Chemistry – A European Journal
publication_identifier:
issn:
- 0947-6539
- 1521-3765
publication_status: published
publisher: Wiley
status: public
title: 'Quo Vadis CO2 Activation: Catalytic Reduction of CO2
to Methanol Using Aluminum and Gallium/Carbon‐based Ambiphiles'
type: journal_article
user_id: '53339'
volume: 30
year: '2023'
...
---
_id: '53170'
abstract:
- lang: eng
text: AbstractCoating medical implants with antibacterial
polymers may prevent postoperative infections which are a common issue for conventional
titanium implants and can even lead to implant failure. Easily applicable diblock
copolymers are presented that form polymer brushes via “grafting to” mechanism
on titanium and equip the modified material with antibacterial properties. The
polymers carry quaternized pyridinium units to combat bacteria and phosphonic
acid groups which allow the linear chains to be anchored to metal surfaces in
a convenient coating process. The polymers are synthesized via reversible‐addition‐fragmentation‐chain‐transfer
(RAFT) polymerization and postmodifications and are characterized using NMR spectroscopy
and SEC. Low grafting densities are a major drawback of the “grafting to” approach
compared to “grafting from”. Thus, the number of phosphonic acid groups in the
anchor block are varied to investigate and optimize the surface binding. Modified
titanium surfaces are examined regarding their composition, wetting behavior,
streaming potential, and coating stability. Evaluation of the antimicrobial properties
revealed reduced bacterial adhesion and biofilm formation for certain polymers,
albeit the cell biocompatibility against human gingival fibroblasts is also impaired.
The presented findings show the potential of easy‐to‐apply polymer coatings and
aid in designing next‐generation implant surface modifications.
article_type: original
author:
- first_name: Rafael
full_name: Methling, Rafael
last_name: Methling
- first_name: Oliver
full_name: Dückmann, Oliver
last_name: Dückmann
- first_name: Frank
full_name: Simon, Frank
last_name: Simon
- first_name: Cornelia
full_name: Wolf‐Brandstetter, Cornelia
last_name: Wolf‐Brandstetter
- first_name: Dirk
full_name: Kuckling, Dirk
id: '287'
last_name: Kuckling
citation:
ama: Methling R, Dückmann O, Simon F, Wolf‐Brandstetter C, Kuckling D. Antimicrobial
Brushes on Titanium via “Grafting to” Using Phosphonic Acid/Pyridinium Containing
Block Copolymers. Macromolecular Materials and Engineering. 2023;308(8).
doi:10.1002/mame.202200665
apa: Methling, R., Dückmann, O., Simon, F., Wolf‐Brandstetter, C., & Kuckling,
D. (2023). Antimicrobial Brushes on Titanium via “Grafting to” Using Phosphonic
Acid/Pyridinium Containing Block Copolymers. Macromolecular Materials and Engineering,
308(8). https://doi.org/10.1002/mame.202200665
bibtex: '@article{Methling_Dückmann_Simon_Wolf‐Brandstetter_Kuckling_2023, title={Antimicrobial
Brushes on Titanium via “Grafting to” Using Phosphonic Acid/Pyridinium Containing
Block Copolymers}, volume={308}, DOI={10.1002/mame.202200665},
number={8}, journal={Macromolecular Materials and Engineering}, publisher={Wiley},
author={Methling, Rafael and Dückmann, Oliver and Simon, Frank and Wolf‐Brandstetter,
Cornelia and Kuckling, Dirk}, year={2023} }'
chicago: Methling, Rafael, Oliver Dückmann, Frank Simon, Cornelia Wolf‐Brandstetter,
and Dirk Kuckling. “Antimicrobial Brushes on Titanium via ‘Grafting to’ Using
Phosphonic Acid/Pyridinium Containing Block Copolymers.” Macromolecular Materials
and Engineering 308, no. 8 (2023). https://doi.org/10.1002/mame.202200665.
ieee: 'R. Methling, O. Dückmann, F. Simon, C. Wolf‐Brandstetter, and D. Kuckling,
“Antimicrobial Brushes on Titanium via ‘Grafting to’ Using Phosphonic Acid/Pyridinium
Containing Block Copolymers,” Macromolecular Materials and Engineering,
vol. 308, no. 8, 2023, doi: 10.1002/mame.202200665.'
mla: Methling, Rafael, et al. “Antimicrobial Brushes on Titanium via ‘Grafting to’
Using Phosphonic Acid/Pyridinium Containing Block Copolymers.” Macromolecular
Materials and Engineering, vol. 308, no. 8, Wiley, 2023, doi:10.1002/mame.202200665.
short: R. Methling, O. Dückmann, F. Simon, C. Wolf‐Brandstetter, D. Kuckling, Macromolecular
Materials and Engineering 308 (2023).
date_created: 2024-04-03T11:08:51Z
date_updated: 2024-04-03T11:10:05Z
department:
- _id: '163'
doi: 10.1002/mame.202200665
intvolume: ' 308'
issue: '8'
keyword:
- Materials Chemistry
- Polymers and Plastics
- Organic Chemistry
- General Chemical Engineering
language:
- iso: eng
publication: Macromolecular Materials and Engineering
publication_identifier:
issn:
- 1438-7492
- 1439-2054
publication_status: published
publisher: Wiley
status: public
title: Antimicrobial Brushes on Titanium via “Grafting to” Using Phosphonic Acid/Pyridinium
Containing Block Copolymers
type: journal_article
user_id: '94'
volume: 308
year: '2023'
...
---
_id: '53166'
abstract:
- lang: eng
text: The Knoevenagel reaction is a classic reaction in organic chemistry
for the formation of C-C bonds. In this study, various catalytic monomers for
Knoevenagel reactions were synthesized and polymerized via photolithography to
form polymeric gel dots with a composition of 90% catalyst, 9% gelling agent and
1% crosslinker. Furthermore, these gel dots were inserted into a microfluidic
reactor (MFR) and the conversion of the reaction using gel dots as catalysts in
the MFR for 8 h at room temperature was studied. The gel dots containing primary
amines showed a better conversion of about 83–90% with aliphatic aldehyde and
86–100% with aromatic aldehyde, compared to the tertiary amines (52–59% with aliphatic
aldehyde and 77–93% with aromatic aldehydes) which resembles the reactivity of
the amines. Moreover, the addition of polar solvent (water) in the reaction mixture
and the swelling properties of the gel dots by altering the polymer backbone showed
a significant enhancement in the conversion of the reaction, due to the increased
accessibility of the catalytic sites in the polymeric network. These results suggested
the primary-amine-based catalysts facilitate better conversion compared to tertiary
amines and the reaction solvent had a significant influence on organocatalysis
to improve the efficiency of MFR.
article_number: '171'
article_type: original
author:
- first_name: Naresh
full_name: Killi, Naresh
last_name: Killi
- first_name: Julian
full_name: Bartenbach, Julian
last_name: Bartenbach
- first_name: Dirk
full_name: Kuckling, Dirk
id: '287'
last_name: Kuckling
citation:
ama: Killi N, Bartenbach J, Kuckling D. Polymeric Networks Containing Amine Derivatives
as Organocatalysts for Knoevenagel Reaction within Continuously Driven Microfluidic
Reactors. Gels. 2023;9(3). doi:10.3390/gels9030171
apa: Killi, N., Bartenbach, J., & Kuckling, D. (2023). Polymeric Networks Containing
Amine Derivatives as Organocatalysts for Knoevenagel Reaction within Continuously
Driven Microfluidic Reactors. Gels, 9(3), Article 171. https://doi.org/10.3390/gels9030171
bibtex: '@article{Killi_Bartenbach_Kuckling_2023, title={Polymeric Networks Containing
Amine Derivatives as Organocatalysts for Knoevenagel Reaction within Continuously
Driven Microfluidic Reactors}, volume={9}, DOI={10.3390/gels9030171},
number={3171}, journal={Gels}, publisher={MDPI AG}, author={Killi, Naresh and
Bartenbach, Julian and Kuckling, Dirk}, year={2023} }'
chicago: Killi, Naresh, Julian Bartenbach, and Dirk Kuckling. “Polymeric Networks
Containing Amine Derivatives as Organocatalysts for Knoevenagel Reaction within
Continuously Driven Microfluidic Reactors.” Gels 9, no. 3 (2023). https://doi.org/10.3390/gels9030171.
ieee: 'N. Killi, J. Bartenbach, and D. Kuckling, “Polymeric Networks Containing
Amine Derivatives as Organocatalysts for Knoevenagel Reaction within Continuously
Driven Microfluidic Reactors,” Gels, vol. 9, no. 3, Art. no. 171, 2023,
doi: 10.3390/gels9030171.'
mla: Killi, Naresh, et al. “Polymeric Networks Containing Amine Derivatives as Organocatalysts
for Knoevenagel Reaction within Continuously Driven Microfluidic Reactors.” Gels,
vol. 9, no. 3, 171, MDPI AG, 2023, doi:10.3390/gels9030171.
short: N. Killi, J. Bartenbach, D. Kuckling, Gels 9 (2023).
date_created: 2024-04-03T11:06:26Z
date_updated: 2024-04-03T11:07:31Z
department:
- _id: '163'
doi: 10.3390/gels9030171
intvolume: ' 9'
issue: '3'
keyword:
- Knoevenagel reaction
- organocatalysis
- polymeric gel dots
- microfluidic reactions
- polymeric networks
language:
- iso: eng
publication: Gels
publication_identifier:
issn:
- 2310-2861
publication_status: published
publisher: MDPI AG
status: public
title: Polymeric Networks Containing Amine Derivatives as Organocatalysts for Knoevenagel
Reaction within Continuously Driven Microfluidic Reactors
type: journal_article
user_id: '94'
volume: 9
year: '2023'
...
---
_id: '53434'
abstract:
- lang: eng
text: Im Rahmen dieser Dissertation wurden Katalysatoren, welche auf der thermischen
Zersetzung von metallorganischen Gerüstverbindungen basieren, mittels Röntgenabsorptionsspektroskopie
(XAS) und Röntgenemissionsspektroskopie (XES) untersucht. Durch diesen synthetischen
Ansatz können hochdisperse Ni-basierte Katalysatoren eingebettet in einer Kohlenstoffmatrix
gewonnen werden, welche für die Methanisierung von CO2 Einsatz finden. Diese sollen
eine hohe Stabilität gegenüber Wasserstoffausfällen aufweisen, welche bedingt
durch Wetterfluktuationen in der Gewinnung von grünem Wasserstoff auftreten. Um
ein derartiges System gezielt gestalten zu können, ist ein detailliertes Verständnis
zugrundeliegender chemischer Mechanismen und damit einhergehend elektronischer
Strukturen der Katalysatorsysteme notwendig. Durch die detaillierte Analyse der
Katalysator-Vorstufen mittels XAS konnte gezeigt werden, dass auch unter reduktiven
Bedingungen in der thermischen Zersetzung Spuren von Ni(II) vorliegen und keine
reine Nifcc-Struktur erreicht werden konnte. Eine detaillierte Auswertung der
gleichen Präkatalysatoren mittels XES konnte durch eine neuartige Kombination
von HERFD-XANES, theoretischer Berechnungen und VtC-XES einen eindeutigen Beweis
für das Vorhandensein der gewünschten Kohlenstoffmatrix sowie Spuren von NiO im
Präkatalysator liefern, welche sich vorteilhaft auf die spätere Aktivität im finalen
Katalysator auswirken. Abschließend konnte mittels einer in-situ Untersuchung
der Temperaturbereich, in dem sich die aktive Katalysatorspezies ausbildet, auf
80 bis 200 C eingegrenzt werden. Schließlich konnte ein eindeutiger Zusammenhang
zwischen dem Verlust einer stabilisierenden Kohlenstoffschicht und einem Rückgang
der Aktivität belegt werden.
- lang: eng
text: This work aimed to establish methods based on X-ray absorption (XAS) and emission
spectroscopy (XES) to study Ni-based catalysts obtained by the thermal decomposition
of metal-organic framework compounds. Through the chosen synthetic approach, highly
dispersed Ni-based catalysts embedded in a carbon matrix were obtained, suitable
for the methanation of CO2. These catalysts are targeted to be highly stable against
hydrogen dropouts that can occur due to weather fluctuations during the production
of green hydrogen using water electrolysis. However, a detailed understanding
of the underlying chemical mechanisms and the associated electronic structures
of the catalyst systems is necessary to design such a system in a targeted manner.
Detailed analysis of the catalyst precursor by XAS showed that although a suitable
pre-catalyst can be prepared even under mildly reducing conditions, traces of
Ni(II) are still present under reducing conditions during thermal decomposition,
and a pure Nifcc structure was not achieved. Detailed XES analysis of the same
pre-catalysts, using a novel combination of HERFD-XANES, theoretical calculations,
and VtC-XES, provided clear evidence for the presence of the desired carbon matrix,
as well as traces of NiO in the pre-catalyst, which has a beneficial effect on
the subsequent activity in the final catalyst. Finally, by in-situ investigation,
the temperature range in which the active catalyst species is formed could be
narrowed down to 80 to 200 C. Furthermore, a clear correlation was proven between
the loss of a stabilizing carbon layer and decreased activity.
author:
- first_name: Sven
full_name: Strübbe, Sven
last_name: Strübbe
citation:
ama: Strübbe S. Investigations of Ni-Based Methanation Catalysts under Dynamic
Conditions via Hard X-Ray Spectroscopy. Universitätsbibliothek Paderborn;
2023. doi:10.17619/UNIPB/1-1752
apa: Strübbe, S. (2023). Investigations of Ni-based methanation catalysts under
dynamic conditions via hard X-ray spectroscopy. Universitätsbibliothek Paderborn.
https://doi.org/10.17619/UNIPB/1-1752
bibtex: '@book{Strübbe_2023, title={Investigations of Ni-based methanation catalysts
under dynamic conditions via hard X-ray spectroscopy}, DOI={10.17619/UNIPB/1-1752},
publisher={Universitätsbibliothek Paderborn}, author={Strübbe, Sven}, year={2023}
}'
chicago: Strübbe, Sven. Investigations of Ni-Based Methanation Catalysts under
Dynamic Conditions via Hard X-Ray Spectroscopy. Universitätsbibliothek Paderborn,
2023. https://doi.org/10.17619/UNIPB/1-1752.
ieee: S. Strübbe, Investigations of Ni-based methanation catalysts under dynamic
conditions via hard X-ray spectroscopy. Universitätsbibliothek Paderborn,
2023.
mla: Strübbe, Sven. Investigations of Ni-Based Methanation Catalysts under Dynamic
Conditions via Hard X-Ray Spectroscopy. Universitätsbibliothek Paderborn,
2023, doi:10.17619/UNIPB/1-1752.
short: S. Strübbe, Investigations of Ni-Based Methanation Catalysts under Dynamic
Conditions via Hard X-Ray Spectroscopy, Universitätsbibliothek Paderborn, 2023.
date_created: 2024-04-11T14:00:57Z
date_updated: 2024-04-11T14:05:40Z
ddc:
- '540'
department:
- _id: '306'
doi: 10.17619/UNIPB/1-1752
language:
- iso: eng
page: '198'
publication_status: published
publisher: Universitätsbibliothek Paderborn
status: public
title: Investigations of Ni-based methanation catalysts under dynamic conditions via
hard X-ray spectroscopy
type: dissertation
user_id: '76968'
year: '2023'
...
---
_id: '49607'
abstract:
- lang: eng
text: In this work, we utilize thin dielectric meta-atoms placed on a silver substrate
to efficiently enhance and manipulate the third-harmonic generation. We theoretically
and experimentally reveal that when the structural symmetry of the meta-atom is
incompatible with the lattice symmetry of an array, some generalized nonlinear
geometric phases appear, which offers new possibilities for harmonic generation
control beyond the accessible symmetries governed by the selection rule. The underlying
mechanism is attributed to the modified rotation of the effective principal axis
of a dense meta-atom array, where the strong coupling among the units gives rise
to a generalized linear geometric phase modulation of the pump light. Therefore,
nonlinear geometric phases carried by third-harmonic emissions are the natural
result of the wave-mixing process among the modes excited at the fundamental frequency.
This mechanism further points out a new strategy to predict the nonlinear geometric
phases delivered by the nanostructures according to their linear responses. Our
design is simple and efficient and offers alternatives for the nonlinear meta-devices
that are capable of flexible photon generation and manipulation.
article_type: original
author:
- first_name: Bingyi
full_name: Liu, Bingyi
last_name: Liu
- first_name: René
full_name: Geromel, René
last_name: Geromel
- first_name: Zhaoxian
full_name: Su, Zhaoxian
last_name: Su
- first_name: Kai
full_name: Guo, Kai
last_name: Guo
- first_name: Yongtian
full_name: Wang, Yongtian
last_name: Wang
- first_name: Zhongyi
full_name: Guo, Zhongyi
last_name: Guo
- first_name: Lingling
full_name: Huang, Lingling
last_name: Huang
- first_name: Thomas
full_name: Zentgraf, Thomas
id: '30525'
last_name: Zentgraf
orcid: 0000-0002-8662-1101
citation:
ama: Liu B, Geromel R, Su Z, et al. Nonlinear Dielectric Geometric-Phase Metasurface
with Simultaneous Structure and Lattice Symmetry Design. ACS Photonics.
2023;10(12):4357-4366. doi:10.1021/acsphotonics.3c01163
apa: Liu, B., Geromel, R., Su, Z., Guo, K., Wang, Y., Guo, Z., Huang, L., &
Zentgraf, T. (2023). Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous
Structure and Lattice Symmetry Design. ACS Photonics, 10(12), 4357–4366.
https://doi.org/10.1021/acsphotonics.3c01163
bibtex: '@article{Liu_Geromel_Su_Guo_Wang_Guo_Huang_Zentgraf_2023, title={Nonlinear
Dielectric Geometric-Phase Metasurface with Simultaneous Structure and Lattice
Symmetry Design}, volume={10}, DOI={10.1021/acsphotonics.3c01163},
number={12}, journal={ACS Photonics}, publisher={American Chemical Society (ACS)},
author={Liu, Bingyi and Geromel, René and Su, Zhaoxian and Guo, Kai and Wang,
Yongtian and Guo, Zhongyi and Huang, Lingling and Zentgraf, Thomas}, year={2023},
pages={4357–4366} }'
chicago: 'Liu, Bingyi, René Geromel, Zhaoxian Su, Kai Guo, Yongtian Wang, Zhongyi
Guo, Lingling Huang, and Thomas Zentgraf. “Nonlinear Dielectric Geometric-Phase
Metasurface with Simultaneous Structure and Lattice Symmetry Design.” ACS Photonics
10, no. 12 (2023): 4357–66. https://doi.org/10.1021/acsphotonics.3c01163.'
ieee: 'B. Liu et al., “Nonlinear Dielectric Geometric-Phase Metasurface with
Simultaneous Structure and Lattice Symmetry Design,” ACS Photonics, vol.
10, no. 12, pp. 4357–4366, 2023, doi: 10.1021/acsphotonics.3c01163.'
mla: Liu, Bingyi, et al. “Nonlinear Dielectric Geometric-Phase Metasurface with
Simultaneous Structure and Lattice Symmetry Design.” ACS Photonics, vol.
10, no. 12, American Chemical Society (ACS), 2023, pp. 4357–66, doi:10.1021/acsphotonics.3c01163.
short: B. Liu, R. Geromel, Z. Su, K. Guo, Y. Wang, Z. Guo, L. Huang, T. Zentgraf,
ACS Photonics 10 (2023) 4357–4366.
date_created: 2023-12-13T14:11:41Z
date_updated: 2024-04-16T06:47:40Z
department:
- _id: '15'
- _id: '230'
- _id: '289'
- _id: '623'
doi: 10.1021/acsphotonics.3c01163
funded_apc: '1'
intvolume: ' 10'
issue: '12'
keyword:
- Electrical and Electronic Engineering
- Atomic and Molecular Physics
- and Optics
- Biotechnology
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://pubs.acs.org/doi/full/10.1021/acsphotonics.3c01163
oa: '1'
page: 4357-4366
project:
- _id: '170'
grant_number: '231447078'
name: 'TRR 142 - B09: TRR 142 - Effiziente Erzeugung mit maßgeschneiderter optischer
Phaselage der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen
(B09*)'
- _id: '55'
name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '53'
grant_number: '231447078'
name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
Konzepten zu funktionellen Strukturen'
publication: ACS Photonics
publication_identifier:
issn:
- 2330-4022
- 2330-4022
publication_status: published
publisher: American Chemical Society (ACS)
quality_controlled: '1'
status: public
title: Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous Structure
and Lattice Symmetry Design
type: journal_article
user_id: '30525'
volume: 10
year: '2023'
...
---
_id: '53568'
author:
- first_name: David
full_name: Weiler, David
last_name: Weiler
- first_name: Jan-Philipp
full_name: Burde , Jan-Philipp
last_name: 'Burde '
- first_name: Rike Isabel
full_name: Große-Heilmann, Rike Isabel
id: '99511'
last_name: Große-Heilmann
orcid: 0000-0001-8713-3014
- first_name: Josef
full_name: Riese, Josef
id: '429'
last_name: Riese
orcid: 0000-0003-2927-2619
- first_name: Thomas
full_name: Schubatzky, Thomas
last_name: Schubatzky
citation:
ama: Weiler D, Burde J-P, Große-Heilmann RI, Riese J, Schubatzky T. Einsatzmöglichkeiten
von digitalen Medien im Physikunterricht - eine Übersicht. Plus Lucis.
2023;(3):4-8.
apa: Weiler, D., Burde , J.-P., Große-Heilmann, R. I., Riese, J., & Schubatzky,
T. (2023). Einsatzmöglichkeiten von digitalen Medien im Physikunterricht - eine
Übersicht. Plus Lucis, 3, 4–8.
bibtex: '@article{Weiler_Burde _Große-Heilmann_Riese_Schubatzky_2023, title={Einsatzmöglichkeiten
von digitalen Medien im Physikunterricht - eine Übersicht}, number={3}, journal={Plus
Lucis}, author={Weiler, David and Burde , Jan-Philipp and Große-Heilmann, Rike
Isabel and Riese, Josef and Schubatzky, Thomas}, year={2023}, pages={4–8} }'
chicago: 'Weiler, David, Jan-Philipp Burde , Rike Isabel Große-Heilmann, Josef Riese,
and Thomas Schubatzky. “Einsatzmöglichkeiten von digitalen Medien im Physikunterricht
- eine Übersicht.” Plus Lucis, no. 3 (2023): 4–8.'
ieee: D. Weiler, J.-P. Burde , R. I. Große-Heilmann, J. Riese, and T. Schubatzky,
“Einsatzmöglichkeiten von digitalen Medien im Physikunterricht - eine Übersicht,”
Plus Lucis, no. 3, pp. 4–8, 2023.
mla: Weiler, David, et al. “Einsatzmöglichkeiten von digitalen Medien im Physikunterricht
- eine Übersicht.” Plus Lucis, no. 3, 2023, pp. 4–8.
short: D. Weiler, J.-P. Burde , R.I. Große-Heilmann, J. Riese, T. Schubatzky, Plus
Lucis (2023) 4–8.
date_created: 2024-04-18T10:42:21Z
date_updated: 2024-04-18T10:42:24Z
department:
- _id: '15'
issue: '3'
language:
- iso: ger
page: 4 - 8
publication: Plus Lucis
publication_identifier:
issn:
- 1606-3015
publication_status: published
status: public
title: Einsatzmöglichkeiten von digitalen Medien im Physikunterricht - eine Übersicht
type: journal_article
user_id: '429'
year: '2023'
...
---
_id: '52344'
abstract:
- lang: eng
text: Macrocyclization reactions are still challenging due to competing oligomerization,
which requires the use of small substrate concentrations. Here, the cationic tungsten
imido and tungsten oxo alkylidene N-heterocyclic carbene complexes [[W(N-2,6-Cl2-C6H3)(CHCMe2Ph(OC6F5)(pivalonitrile)(IMes)+
B(ArF)4−] (W1) and [W(O)(CHCMe2Ph(OCMe(CF3)2)(IMes)(CH3CN)+ B(ArF)4−] (W2) (IMes=1,3-dimesitylimidazol-2-ylidene;
B(ArF)4−=tetrakis(3,5-bis(trifluoromethyl)phenyl borate) have been immobilized
inside the pores of ordered mesoporous silica (OMS) with pore diameters of 3.3
and 6.8 nm, respectively, using a pore-selective immobilization protocol. X-ray
absorption spectroscopy of W1@OMS showed that even though the catalyst structure
is contracted due to confinement by the mesopores, both the oxidation state and
structure of the catalyst stayed intact upon immobilization. Catalytic testing
with four differently sized α,ω-dienes revealed a dramatically increased macrocyclization
(MC) and Z-selectivity of the supported catalysts compared to the homogenous progenitors,
allowing high substrate concentrations of 25 mM. With the supported complexes,
a maximum increase in MC-selectivity from 27 to 81 % and in Z-selectivity from
17 to 34 % was achieved. In general, smaller mesopores exhibited a stronger confinement
effect. A comparison of the two supported tungsten-based catalysts showed that
W1@OMS possesses a higher MC-selectivity, while W2@OMS exhibits a higher Z-selectivity
which can be rationalized by the structures of the catalysts.
article_type: original
author:
- first_name: Felix
full_name: Ziegler, Felix
last_name: Ziegler
- first_name: Johanna R.
full_name: Bruckner, Johanna R.
last_name: Bruckner
- first_name: Michał
full_name: Nowakowski, Michał
id: '78878'
last_name: Nowakowski
orcid: 0000-0002-3734-7011
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Patrick
full_name: Probst, Patrick
last_name: Probst
- first_name: Boshra
full_name: Atwi, Boshra
last_name: Atwi
- first_name: Michael R.
full_name: Buchmeiser, Michael R.
last_name: Buchmeiser
citation:
ama: Ziegler F, Bruckner JR, Nowakowski M, et al. Macrocyclization of Dienes under
Confinement with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic
Carbene Complexes. ChemCatChem. 2023;15(21). doi:10.1002/cctc.202300871
apa: Ziegler, F., Bruckner, J. R., Nowakowski, M., Bauer, M., Probst, P., Atwi,
B., & Buchmeiser, M. R. (2023). Macrocyclization of Dienes under Confinement
with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes.
ChemCatChem, 15(21). https://doi.org/10.1002/cctc.202300871
bibtex: '@article{Ziegler_Bruckner_Nowakowski_Bauer_Probst_Atwi_Buchmeiser_2023,
title={Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo
Alkylidene N‐Heterocyclic Carbene Complexes}, volume={15}, DOI={10.1002/cctc.202300871},
number={21}, journal={ChemCatChem}, publisher={Wiley}, author={Ziegler, Felix
and Bruckner, Johanna R. and Nowakowski, Michał and Bauer, Matthias and Probst,
Patrick and Atwi, Boshra and Buchmeiser, Michael R.}, year={2023} }'
chicago: Ziegler, Felix, Johanna R. Bruckner, Michał Nowakowski, Matthias Bauer,
Patrick Probst, Boshra Atwi, and Michael R. Buchmeiser. “Macrocyclization of Dienes
under Confinement with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic
Carbene Complexes.” ChemCatChem 15, no. 21 (2023). https://doi.org/10.1002/cctc.202300871.
ieee: 'F. Ziegler et al., “Macrocyclization of Dienes under Confinement with
Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes,”
ChemCatChem, vol. 15, no. 21, 2023, doi: 10.1002/cctc.202300871.'
mla: Ziegler, Felix, et al. “Macrocyclization of Dienes under Confinement with Cationic
Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes.” ChemCatChem,
vol. 15, no. 21, Wiley, 2023, doi:10.1002/cctc.202300871.
short: F. Ziegler, J.R. Bruckner, M. Nowakowski, M. Bauer, P. Probst, B. Atwi, M.R.
Buchmeiser, ChemCatChem 15 (2023).
date_created: 2024-03-07T09:44:33Z
date_updated: 2024-05-07T11:41:51Z
department:
- _id: '306'
doi: 10.1002/cctc.202300871
intvolume: ' 15'
issue: '21'
keyword:
- Inorganic Chemistry
- Organic Chemistry
- Physical and Theoretical Chemistry
- Catalysis
language:
- iso: eng
publication: ChemCatChem
publication_identifier:
issn:
- 1867-3880
- 1867-3899
publication_status: published
publisher: Wiley
status: public
title: Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo
Alkylidene N‐Heterocyclic Carbene Complexes
type: journal_article
user_id: '48467'
volume: 15
year: '2023'
...
---
_id: '42679'
abstract:
- lang: eng
text: The Saharan desert ant Cataglyphis bombycina is densely covered with shiny
silver setae (hair-like structures). Their appearance was explained by geometric
optics and total internal reflection. The setae also increase the emissivity of
the ant, as they form an effective medium. This work provides additional data
on microstructural details of the setae that are used to simulate the scattering
of an individual seta to explain their influence on the optical properties. This
is achieved by characterization of their structure using light microscopy and
scanning/transmission electron microscopy. How the microstructural features influence
scattering is investigated wave-optically within the limits of finite-difference
time-domain simulations from the ultraviolet to the mid-infrared spectral range
to elucidate the optical effects beyond ray optics and effective medium theory.
The results show that Mie scattering plays an important role in protecting the
ant from solar radiation and could be relevant for its thermal tolerance.
article_type: original
author:
- first_name: Bertram
full_name: Schwind, Bertram
last_name: Schwind
- first_name: Xia
full_name: Wu, Xia
last_name: Wu
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Helge-Otto
full_name: Fabritius, Helge-Otto
last_name: Fabritius
citation:
ama: Schwind B, Wu X, Tiemann M, Fabritius H-O. Broadband Mie scattering effects
by structural features of setae from the Saharan silver ant Cataglyphis bombycina.
Journal of the Optical Society of America B. 2023;40(3):B49-B58. doi:10.1364/josab.474899
apa: Schwind, B., Wu, X., Tiemann, M., & Fabritius, H.-O. (2023). Broadband
Mie scattering effects by structural features of setae from the Saharan silver
ant Cataglyphis bombycina. Journal of the Optical Society of America B,
40(3), B49–B58. https://doi.org/10.1364/josab.474899
bibtex: '@article{Schwind_Wu_Tiemann_Fabritius_2023, title={Broadband Mie scattering
effects by structural features of setae from the Saharan silver ant Cataglyphis
bombycina}, volume={40}, DOI={10.1364/josab.474899},
number={3}, journal={Journal of the Optical Society of America B}, publisher={Optica
Publishing Group}, author={Schwind, Bertram and Wu, Xia and Tiemann, Michael and
Fabritius, Helge-Otto}, year={2023}, pages={B49–B58} }'
chicago: 'Schwind, Bertram, Xia Wu, Michael Tiemann, and Helge-Otto Fabritius. “Broadband
Mie Scattering Effects by Structural Features of Setae from the Saharan Silver
Ant Cataglyphis Bombycina.” Journal of the Optical Society of America B
40, no. 3 (2023): B49–58. https://doi.org/10.1364/josab.474899.'
ieee: 'B. Schwind, X. Wu, M. Tiemann, and H.-O. Fabritius, “Broadband Mie scattering
effects by structural features of setae from the Saharan silver ant Cataglyphis
bombycina,” Journal of the Optical Society of America B, vol. 40, no. 3,
pp. B49–B58, 2023, doi: 10.1364/josab.474899.'
mla: Schwind, Bertram, et al. “Broadband Mie Scattering Effects by Structural Features
of Setae from the Saharan Silver Ant Cataglyphis Bombycina.” Journal of the
Optical Society of America B, vol. 40, no. 3, Optica Publishing Group, 2023,
pp. B49–58, doi:10.1364/josab.474899.
short: B. Schwind, X. Wu, M. Tiemann, H.-O. Fabritius, Journal of the Optical Society
of America B 40 (2023) B49–B58.
date_created: 2023-03-02T17:48:38Z
date_updated: 2024-05-22T14:29:39Z
department:
- _id: '35'
- _id: '2'
- _id: '307'
- _id: '230'
doi: 10.1364/josab.474899
intvolume: ' 40'
issue: '3'
keyword:
- Atomic and Molecular Physics
- and Optics
- Statistical and Nonlinear Physics
language:
- iso: eng
page: B49 - B58
publication: Journal of the Optical Society of America B
publication_identifier:
issn:
- 0740-3224
- 1520-8540
publication_status: published
publisher: Optica Publishing Group
quality_controlled: '1'
status: public
title: Broadband Mie scattering effects by structural features of setae from the Saharan
silver ant Cataglyphis bombycina
type: journal_article
user_id: '23547'
volume: 40
year: '2023'
...
---
_id: '39976'
abstract:
- lang: eng
text: "The context of the study is the increasing digitalisation of the living environment
of primary school students, which is to be introduced into primary schools according
to theoretical and educational policy guidelines. In this regard, further teacher\r\ntraining
on digital media in classrooms are particularly relevant, on the one hand to promote
teachers’ digital-related pedagogical knowledge and content knowledge (DPaCK).
On the other hand, studies also reveal positive correlations among teacher training,
teaching activities, and students’ learning outcomes. In-service teacher training
courses with adaptive support by a trainer in particular have\r\nproven to be
effective. Against the background of various research studies on professional
development of teachers, a corresponding model of tripartite learning outcomes
has been established and serves as a broad theoretical framework. However, the
specific relationship between in-service teacher training with adaptive support,
DPaCK, and computational thinking of primary school students in the context of
the German primary school subject Sachunterricht has not been sufficiently studied.
Therefore, the following research questions can be derived: (1) To what extent
does training with adaptive support on the topic of learning robots contribute
to the development of teachers’ DPaCK? (2) Which effects can be ascertained on
the students’ computational thinking in technology-related Sachunterricht? To
investigate this relationship, an intervention study in a pre-post design with
an experimental group, a control group, and a baseline is appropriate. As results
are not yet available at this point, the present paper focuses on the presentation
of the theoretical background and empirical approaches."
article_type: original
author:
- first_name: Nicole
full_name: Janicki, Nicole
id: '50915'
last_name: Janicki
- first_name: Claudia
full_name: Tenberge, Claudia
id: '67302'
last_name: Tenberge
citation:
ama: Janicki N, Tenberge C. Technology education in elementary school using the
example of “learning robots” – development and evaluation of an in-service teacher
training concept. Australasian Journal of Technology Education. 2023;9.
doi:https://doi.org/10.15663/ajte.v9.i0.103
apa: Janicki, N., & Tenberge, C. (2023). Technology education in elementary
school using the example of “learning robots” – development and evaluation of
an in-service teacher training concept. Australasian Journal of Technology
Education, 9. https://doi.org/10.15663/ajte.v9.i0.103
bibtex: '@article{Janicki_Tenberge_2023, title={Technology education in elementary
school using the example of “learning robots” – development and evaluation of
an in-service teacher training concept}, volume={9}, DOI={https://doi.org/10.15663/ajte.v9.i0.103},
journal={Australasian Journal of Technology Education}, author={Janicki, Nicole
and Tenberge, Claudia}, year={2023} }'
chicago: Janicki, Nicole, and Claudia Tenberge. “Technology Education in Elementary
School Using the Example of ‘learning Robots’ – Development and Evaluation of
an in-Service Teacher Training Concept.” Australasian Journal of Technology
Education 9 (2023). https://doi.org/10.15663/ajte.v9.i0.103.
ieee: 'N. Janicki and C. Tenberge, “Technology education in elementary school using
the example of ‘learning robots’ – development and evaluation of an in-service
teacher training concept,” Australasian Journal of Technology Education,
vol. 9, 2023, doi: https://doi.org/10.15663/ajte.v9.i0.103.'
mla: Janicki, Nicole, and Claudia Tenberge. “Technology Education in Elementary
School Using the Example of ‘learning Robots’ – Development and Evaluation of
an in-Service Teacher Training Concept.” Australasian Journal of Technology
Education, vol. 9, 2023, doi:https://doi.org/10.15663/ajte.v9.i0.103.
short: N. Janicki, C. Tenberge, Australasian Journal of Technology Education 9 (2023).
date_created: 2023-01-25T11:50:07Z
date_updated: 2024-05-31T09:22:58Z
department:
- _id: '588'
doi: https://doi.org/10.15663/ajte.v9.i0.103
intvolume: ' 9'
keyword:
- technology education
- teacher professionalisation
- Computational Thinking
- digitalization
- learning robots
language:
- iso: eng
publication: Australasian Journal of Technology Education
publication_status: published
status: public
title: Technology education in elementary school using the example of 'learning robots'
– development and evaluation of an in-service teacher training concept
type: journal_article
user_id: '50915'
volume: 9
year: '2023'
...
---
_id: '54852'
abstract:
- lang: eng
text: The crystal family of potassium titanyl phosphate (KTiOPO4) is a promising
material group for applications in quantum and nonlinear optics. The fabrication
of low-loss optical waveguides, as well as high-grade periodically poled ferroelectric
domain structures, requires a profound understanding of the material properties
and crystal structure. In this regard, Raman spectroscopy offers the possibility
to study and visualize domain structures, strain, defects, and the local stoichiometry,
which are all factors impacting device performance. However, the accurate interpretation
of Raman spectra and their changes with respect to extrinsic and intrinsic defects
requires a thorough assignment of the Raman modes to their respective crystal
features, which to date is only partly conducted based on phenomenological modelling.
To address this issue, we calculated the phonon spectra of potassium titanyl phosphate
and the related compounds rubidium titanyl phosphate (RbTiOPO4) and potassium
titanyl arsenate (KTiOAsO4) based on density functional theory and compared them
with experimental data. Overall, this allows us to assign various spectral features
to eigenmodes of lattice substructures with improved detail compared to previous
assignments. Nevertheless, the analysis also shows that not all features of the
spectra can unambigiously be explained yet. A possible explanation might be that
defects or long range fields not included in the modeling play a crucial rule
for the resulting Raman spectrum. In conclusion, this work provides an improved
foundation into the vibrational properties in the KTiOPO4 material family.
article_number: '1423'
author:
- first_name: Sergej
full_name: Neufeld, Sergej
last_name: Neufeld
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Laura
full_name: Padberg, Laura
id: '40300'
last_name: Padberg
- first_name: Christof
full_name: Eigner, Christof
id: '13244'
last_name: Eigner
orcid: https://orcid.org/0000-0002-5693-3083
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
- first_name: Lukas M.
full_name: Eng, Lukas M.
last_name: Eng
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
citation:
ama: Neufeld S, Gerstmann U, Padberg L, et al. Vibrational Properties of the Potassium
Titanyl Phosphate Crystal Family. Crystals. 2023;13(10). doi:10.3390/cryst13101423
apa: Neufeld, S., Gerstmann, U., Padberg, L., Eigner, C., Berth, G., Silberhorn,
C., Eng, L. M., Schmidt, W. G., & Rüsing, M. (2023). Vibrational Properties
of the Potassium Titanyl Phosphate Crystal Family. Crystals, 13(10),
Article 1423. https://doi.org/10.3390/cryst13101423
bibtex: '@article{Neufeld_Gerstmann_Padberg_Eigner_Berth_Silberhorn_Eng_Schmidt_Rüsing_2023,
title={Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family},
volume={13}, DOI={10.3390/cryst13101423},
number={101423}, journal={Crystals}, publisher={MDPI AG}, author={Neufeld, Sergej
and Gerstmann, Uwe and Padberg, Laura and Eigner, Christof and Berth, Gerhard
and Silberhorn, Christine and Eng, Lukas M. and Schmidt, Wolf Gero and Rüsing,
Michael}, year={2023} }'
chicago: Neufeld, Sergej, Uwe Gerstmann, Laura Padberg, Christof Eigner, Gerhard
Berth, Christine Silberhorn, Lukas M. Eng, Wolf Gero Schmidt, and Michael Rüsing.
“Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family.” Crystals
13, no. 10 (2023). https://doi.org/10.3390/cryst13101423.
ieee: 'S. Neufeld et al., “Vibrational Properties of the Potassium Titanyl
Phosphate Crystal Family,” Crystals, vol. 13, no. 10, Art. no. 1423, 2023,
doi: 10.3390/cryst13101423.'
mla: Neufeld, Sergej, et al. “Vibrational Properties of the Potassium Titanyl Phosphate
Crystal Family.” Crystals, vol. 13, no. 10, 1423, MDPI AG, 2023, doi:10.3390/cryst13101423.
short: S. Neufeld, U. Gerstmann, L. Padberg, C. Eigner, G. Berth, C. Silberhorn,
L.M. Eng, W.G. Schmidt, M. Rüsing, Crystals 13 (2023).
date_created: 2024-06-24T06:15:00Z
date_updated: 2024-06-24T06:30:23Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '288'
- _id: '230'
- _id: '429'
doi: 10.3390/cryst13101423
intvolume: ' 13'
issue: '10'
language:
- iso: eng
project:
- _id: '53'
grant_number: '231447078'
name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
Konzepten zu funktionellen Strukturen'
publication: Crystals
publication_identifier:
issn:
- 2073-4352
publication_status: published
publisher: MDPI AG
status: public
title: Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family
type: journal_article
user_id: '16199'
volume: 13
year: '2023'
...
---
_id: '54854'
abstract:
- lang: eng
text: 'Batteries based on heavier alkali ions are considered promising candidates
to substitute for current Li-based technologies. In this theoretical study, we
characterize the structural properties of a novel material, i.e., F-doped RbTiOPO4
(RbTiPO4F, RTP:F), and discuss aspects of its electrochemical performance in Rb-ion
batteries (RIBs) using density functional theory (DFT). According to our calculations,
RTP:F is expected to retain the so-called KTiOPO4 (KTP)-type structure, with lattice
parameters of 13.236 Å, 6.616 Å, and 10.945 Å. Due to the doping with F, the crystal
features eight extra electrons per unit cell, whereby each of these electrons
is trapped by one of the surrounding Ti atoms in the cell. Notably, the ground
state of the system corresponds to a ferromagnetic spin configuration (i.e., S=4).
The deintercalation of Rb leads to the oxidation of the Ti atoms in the cell (i.e.,
from Ti3+ to Ti4+) and to reduced magnetic moments. The material promises interesting
electrochemical properties for the cathode: rather high average voltages above
2.8 V and modest volume shrinkages below 13% even in the fully deintercalated
case are predicted.'
article_number: '5'
author:
- first_name: Adriana
full_name: Bocchini, Adriana
id: '58349'
last_name: Bocchini
orcid: 0000-0002-2134-3075
- first_name: Yingjie
full_name: Xie, Yingjie
last_name: Xie
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
citation:
ama: Bocchini A, Xie Y, Schmidt WG, Gerstmann U. Structural and Electrochemical
Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles. Crystals.
2023;14(1). doi:10.3390/cryst14010005
apa: Bocchini, A., Xie, Y., Schmidt, W. G., & Gerstmann, U. (2023). Structural
and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First
Principles. Crystals, 14(1), Article 5. https://doi.org/10.3390/cryst14010005
bibtex: '@article{Bocchini_Xie_Schmidt_Gerstmann_2023, title={Structural and Electrochemical
Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles}, volume={14},
DOI={10.3390/cryst14010005},
number={15}, journal={Crystals}, publisher={MDPI AG}, author={Bocchini, Adriana
and Xie, Yingjie and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2023} }'
chicago: Bocchini, Adriana, Yingjie Xie, Wolf Gero Schmidt, and Uwe Gerstmann. “Structural
and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First
Principles.” Crystals 14, no. 1 (2023). https://doi.org/10.3390/cryst14010005.
ieee: 'A. Bocchini, Y. Xie, W. G. Schmidt, and U. Gerstmann, “Structural and Electrochemical
Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles,” Crystals,
vol. 14, no. 1, Art. no. 5, 2023, doi: 10.3390/cryst14010005.'
mla: Bocchini, Adriana, et al. “Structural and Electrochemical Properties of F-Doped
RbTiOPO4 (RTP:F) Predicted from First Principles.” Crystals, vol. 14, no.
1, 5, MDPI AG, 2023, doi:10.3390/cryst14010005.
short: A. Bocchini, Y. Xie, W.G. Schmidt, U. Gerstmann, Crystals 14 (2023).
date_created: 2024-06-24T06:21:04Z
date_updated: 2024-06-24T06:30:13Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '230'
- _id: '429'
- _id: '27'
doi: 10.3390/cryst14010005
intvolume: ' 14'
issue: '1'
language:
- iso: eng
project:
- _id: '53'
grant_number: '231447078'
name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
Konzepten zu funktionellen Strukturen'
- _id: '54'
name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '55'
name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '166'
name: 'TRR 142 - A11: TRR 142 - Subproject A11'
- _id: '168'
grant_number: '231447078'
name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
von Lithiumniobat (B07*)'
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Crystals
publication_identifier:
issn:
- 2073-4352
publication_status: published
publisher: MDPI AG
status: public
title: Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted
from First Principles
type: journal_article
user_id: '16199'
volume: 14
year: '2023'
...
---
_id: '54853'
abstract:
- lang: eng
text: The nitrogen-vacancy (NV) centers (NCVSi)− in 4H silicon carbide (SiC)
constitute an ensemble of spin S = 1 solid state qubits interacting with the surrounding
14N and 29Si nuclei. As quantum applications based on a polarization transfer
from the electron spin to the nuclei require the knowledge of the electron–nuclear
interaction parameters, we have used high-frequency (94 GHz) electron–nuclear
double resonance spectroscopy combined with first-principles density functional
theory to investigate the hyperfine and nuclear quadrupole interactions of the
basal and axial NV centers. We observed that the four inequivalent NV configurations
(hk, kh, hh, and kk) exhibit different electron–nuclear interaction parameters,
suggesting that each NV center may act as a separate optically addressable qubit.
Finally, we rationalized the observed differences in terms of distinctions in
the local atomic structures of the NV configurations. Thus, our results provide
the basic knowledge for an extension of quantum protocols involving the 14N nuclear
spin.
author:
- first_name: F. F.
full_name: Murzakhanov, F. F.
last_name: Murzakhanov
- first_name: M. A.
full_name: Sadovnikova, M. A.
last_name: Sadovnikova
- first_name: G. V.
full_name: Mamin, G. V.
last_name: Mamin
- first_name: S. S.
full_name: Nagalyuk, S. S.
last_name: Nagalyuk
- first_name: H. J.
full_name: von Bardeleben, H. J.
last_name: von Bardeleben
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Timur
full_name: Biktagirov, Timur
id: '65612'
last_name: Biktagirov
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: V. A.
full_name: Soltamov, V. A.
last_name: Soltamov
citation:
ama: 'Murzakhanov FF, Sadovnikova MA, Mamin GV, et al. 14N Hyperfine and nuclear
interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz)
ENDOR study. Journal of Applied Physics. 2023;134(12). doi:10.1063/5.0170099'
apa: 'Murzakhanov, F. F., Sadovnikova, M. A., Mamin, G. V., Nagalyuk, S. S., von
Bardeleben, H. J., Schmidt, W. G., Biktagirov, T., Gerstmann, U., & Soltamov,
V. A. (2023). 14N Hyperfine and nuclear interactions of axial and basal NV centers
in 4H-SiC: A high frequency (94 GHz) ENDOR study. Journal of Applied Physics,
134(12). https://doi.org/10.1063/5.0170099'
bibtex: '@article{Murzakhanov_Sadovnikova_Mamin_Nagalyuk_von Bardeleben_Schmidt_Biktagirov_Gerstmann_Soltamov_2023,
title={14N Hyperfine and nuclear interactions of axial and basal NV centers in
4H-SiC: A high frequency (94 GHz) ENDOR study}, volume={134}, DOI={10.1063/5.0170099},
number={12}, journal={Journal of Applied Physics}, publisher={AIP Publishing},
author={Murzakhanov, F. F. and Sadovnikova, M. A. and Mamin, G. V. and Nagalyuk,
S. S. and von Bardeleben, H. J. and Schmidt, Wolf Gero and Biktagirov, Timur and
Gerstmann, Uwe and Soltamov, V. A.}, year={2023} }'
chicago: 'Murzakhanov, F. F., M. A. Sadovnikova, G. V. Mamin, S. S. Nagalyuk, H.
J. von Bardeleben, Wolf Gero Schmidt, Timur Biktagirov, Uwe Gerstmann, and V.
A. Soltamov. “14N Hyperfine and Nuclear Interactions of Axial and Basal NV Centers
in 4H-SiC: A High Frequency (94 GHz) ENDOR Study.” Journal of Applied Physics
134, no. 12 (2023). https://doi.org/10.1063/5.0170099.'
ieee: 'F. F. Murzakhanov et al., “14N Hyperfine and nuclear interactions
of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study,”
Journal of Applied Physics, vol. 134, no. 12, 2023, doi: 10.1063/5.0170099.'
mla: 'Murzakhanov, F. F., et al. “14N Hyperfine and Nuclear Interactions of Axial
and Basal NV Centers in 4H-SiC: A High Frequency (94 GHz) ENDOR Study.” Journal
of Applied Physics, vol. 134, no. 12, AIP Publishing, 2023, doi:10.1063/5.0170099.'
short: F.F. Murzakhanov, M.A. Sadovnikova, G.V. Mamin, S.S. Nagalyuk, H.J. von Bardeleben,
W.G. Schmidt, T. Biktagirov, U. Gerstmann, V.A. Soltamov, Journal of Applied Physics
134 (2023).
date_created: 2024-06-24T06:18:17Z
date_updated: 2024-06-24T06:30:19Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '27'
- _id: '230'
doi: 10.1063/5.0170099
intvolume: ' 134'
issue: '12'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Journal of Applied Physics
publication_identifier:
issn:
- 0021-8979
- 1089-7550
publication_status: published
publisher: AIP Publishing
status: public
title: '14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC:
A high frequency (94 GHz) ENDOR study'
type: journal_article
user_id: '16199'
volume: 134
year: '2023'
...