---
_id: '38004'
abstract:
- lang: eng
  text: <jats:p>In the crystal structure of the title salt, C<jats:sub>2</jats:sub>H<jats:sub>8</jats:sub>NO<jats:sup>+</jats:sup>·I<jats:sup>−</jats:sup>,
    N—H...O, N—H...I and O—H...I hydrogen bonds lead to the formation of layers staggered
    along the<jats:italic>c</jats:italic>axis.</jats:p>
author:
- first_name: Christina
  full_name: Kohrt, Christina
  last_name: Kohrt
- first_name: Anke
  full_name: Spannenberg, Anke
  last_name: Spannenberg
- first_name: Thomas
  full_name: Werner, Thomas
  id: '89271'
  last_name: Werner
  orcid: 0000-0001-9025-3244
citation:
  ama: Kohrt C, Spannenberg A, Werner T. 2-Hydroxyethylammonium iodide. <i>Acta Crystallographica
    Section E Structure Reports Online</i>. 2014;70(6):o628-o628. doi:<a href="https://doi.org/10.1107/s1600536814009581">10.1107/s1600536814009581</a>
  apa: Kohrt, C., Spannenberg, A., &#38; Werner, T. (2014). 2-Hydroxyethylammonium
    iodide. <i>Acta Crystallographica Section E Structure Reports Online</i>, <i>70</i>(6),
    o628–o628. <a href="https://doi.org/10.1107/s1600536814009581">https://doi.org/10.1107/s1600536814009581</a>
  bibtex: '@article{Kohrt_Spannenberg_Werner_2014, title={2-Hydroxyethylammonium iodide},
    volume={70}, DOI={<a href="https://doi.org/10.1107/s1600536814009581">10.1107/s1600536814009581</a>},
    number={6}, journal={Acta Crystallographica Section E Structure Reports Online},
    publisher={International Union of Crystallography (IUCr)}, author={Kohrt, Christina
    and Spannenberg, Anke and Werner, Thomas}, year={2014}, pages={o628–o628} }'
  chicago: 'Kohrt, Christina, Anke Spannenberg, and Thomas Werner. “2-Hydroxyethylammonium
    Iodide.” <i>Acta Crystallographica Section E Structure Reports Online</i> 70,
    no. 6 (2014): o628–o628. <a href="https://doi.org/10.1107/s1600536814009581">https://doi.org/10.1107/s1600536814009581</a>.'
  ieee: 'C. Kohrt, A. Spannenberg, and T. Werner, “2-Hydroxyethylammonium iodide,”
    <i>Acta Crystallographica Section E Structure Reports Online</i>, vol. 70, no.
    6, pp. o628–o628, 2014, doi: <a href="https://doi.org/10.1107/s1600536814009581">10.1107/s1600536814009581</a>.'
  mla: Kohrt, Christina, et al. “2-Hydroxyethylammonium Iodide.” <i>Acta Crystallographica
    Section E Structure Reports Online</i>, vol. 70, no. 6, International Union of
    Crystallography (IUCr), 2014, pp. o628–o628, doi:<a href="https://doi.org/10.1107/s1600536814009581">10.1107/s1600536814009581</a>.
  short: C. Kohrt, A. Spannenberg, T. Werner, Acta Crystallographica Section E Structure
    Reports Online 70 (2014) o628–o628.
date_created: 2023-01-22T21:10:37Z
date_updated: 2025-11-10T09:39:11Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1107/s1600536814009581
extern: '1'
intvolume: '        70'
issue: '6'
keyword:
- Condensed Matter Physics
- General Materials Science
- General Chemistry
language:
- iso: eng
page: o628-o628
publication: Acta Crystallographica Section E Structure Reports Online
publication_identifier:
  issn:
  - 1600-5368
publication_status: published
publisher: International Union of Crystallography (IUCr)
status: public
title: 2-Hydroxyethylammonium iodide
type: journal_article
user_id: '89271'
volume: 70
year: '2014'
...
---
_id: '38003'
alternative_title:
- Activation of Diorganozinc Reagents
author:
- first_name: Thomas
  full_name: Werner, Thomas
  id: '89271'
  last_name: Werner
  orcid: 0000-0001-9025-3244
- first_name: Matthias
  full_name: Bauer, Matthias
  id: '47241'
  last_name: Bauer
  orcid: 0000-0002-9294-6076
- first_name: Abdol Majid
  full_name: Riahi, Abdol Majid
  last_name: Riahi
- first_name: Heiko
  full_name: Schramm, Heiko
  last_name: Schramm
citation:
  ama: Werner T, Bauer M, Riahi AM, Schramm H. A Catalytic System for the Activation
    of Diorganozinc Reagents. <i>European Journal of Organic Chemistry</i>. 2014;2014(22):4876-4883.
    doi:<a href="https://doi.org/10.1002/ejoc.201402138">10.1002/ejoc.201402138</a>
  apa: Werner, T., Bauer, M., Riahi, A. M., &#38; Schramm, H. (2014). A Catalytic
    System for the Activation of Diorganozinc Reagents. <i>European Journal of Organic
    Chemistry</i>, <i>2014</i>(22), 4876–4883. <a href="https://doi.org/10.1002/ejoc.201402138">https://doi.org/10.1002/ejoc.201402138</a>
  bibtex: '@article{Werner_Bauer_Riahi_Schramm_2014, title={A Catalytic System for
    the Activation of Diorganozinc Reagents}, volume={2014}, DOI={<a href="https://doi.org/10.1002/ejoc.201402138">10.1002/ejoc.201402138</a>},
    number={22}, journal={European Journal of Organic Chemistry}, publisher={Wiley},
    author={Werner, Thomas and Bauer, Matthias and Riahi, Abdol Majid and Schramm,
    Heiko}, year={2014}, pages={4876–4883} }'
  chicago: 'Werner, Thomas, Matthias Bauer, Abdol Majid Riahi, and Heiko Schramm.
    “A Catalytic System for the Activation of Diorganozinc Reagents.” <i>European
    Journal of Organic Chemistry</i> 2014, no. 22 (2014): 4876–83. <a href="https://doi.org/10.1002/ejoc.201402138">https://doi.org/10.1002/ejoc.201402138</a>.'
  ieee: 'T. Werner, M. Bauer, A. M. Riahi, and H. Schramm, “A Catalytic System for
    the Activation of Diorganozinc Reagents,” <i>European Journal of Organic Chemistry</i>,
    vol. 2014, no. 22, pp. 4876–4883, 2014, doi: <a href="https://doi.org/10.1002/ejoc.201402138">10.1002/ejoc.201402138</a>.'
  mla: Werner, Thomas, et al. “A Catalytic System for the Activation of Diorganozinc
    Reagents.” <i>European Journal of Organic Chemistry</i>, vol. 2014, no. 22, Wiley,
    2014, pp. 4876–83, doi:<a href="https://doi.org/10.1002/ejoc.201402138">10.1002/ejoc.201402138</a>.
  short: T. Werner, M. Bauer, A.M. Riahi, H. Schramm, European Journal of Organic
    Chemistry 2014 (2014) 4876–4883.
date_created: 2023-01-22T21:10:17Z
date_updated: 2025-11-10T09:36:29Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1002/ejoc.201402138
extern: '1'
intvolume: '      2014'
issue: '22'
keyword:
- Organic Chemistry
- Physical and Theoretical Chemistry
language:
- iso: eng
page: 4876-4883
publication: European Journal of Organic Chemistry
publication_identifier:
  issn:
  - 1434-193X
publication_status: published
publisher: Wiley
status: public
title: A Catalytic System for the Activation of Diorganozinc Reagents
type: journal_article
user_id: '89271'
volume: 2014
year: '2014'
...
---
_id: '38001'
alternative_title:
- First Microwave-Assisted Catalytic Wittig Reaction
author:
- first_name: Thomas
  full_name: Werner, Thomas
  id: '89271'
  last_name: Werner
  orcid: 0000-0001-9025-3244
- first_name: Marcel
  full_name: Hoffmann, Marcel
  last_name: Hoffmann
- first_name: Sunetra
  full_name: Deshmukh, Sunetra
  last_name: Deshmukh
citation:
  ama: Werner T, Hoffmann M, Deshmukh S. First Microwave-Assisted Catalytic Wittig
    Reaction. <i>European Journal of Organic Chemistry</i>. 2014;2014(31):6873-6876.
    doi:<a href="https://doi.org/10.1002/ejoc.201403113">10.1002/ejoc.201403113</a>
  apa: Werner, T., Hoffmann, M., &#38; Deshmukh, S. (2014). First Microwave-Assisted
    Catalytic Wittig Reaction. <i>European Journal of Organic Chemistry</i>, <i>2014</i>(31),
    6873–6876. <a href="https://doi.org/10.1002/ejoc.201403113">https://doi.org/10.1002/ejoc.201403113</a>
  bibtex: '@article{Werner_Hoffmann_Deshmukh_2014, title={First Microwave-Assisted
    Catalytic Wittig Reaction}, volume={2014}, DOI={<a href="https://doi.org/10.1002/ejoc.201403113">10.1002/ejoc.201403113</a>},
    number={31}, journal={European Journal of Organic Chemistry}, publisher={Wiley},
    author={Werner, Thomas and Hoffmann, Marcel and Deshmukh, Sunetra}, year={2014},
    pages={6873–6876} }'
  chicago: 'Werner, Thomas, Marcel Hoffmann, and Sunetra Deshmukh. “First Microwave-Assisted
    Catalytic Wittig Reaction.” <i>European Journal of Organic Chemistry</i> 2014,
    no. 31 (2014): 6873–76. <a href="https://doi.org/10.1002/ejoc.201403113">https://doi.org/10.1002/ejoc.201403113</a>.'
  ieee: 'T. Werner, M. Hoffmann, and S. Deshmukh, “First Microwave-Assisted Catalytic
    Wittig Reaction,” <i>European Journal of Organic Chemistry</i>, vol. 2014, no.
    31, pp. 6873–6876, 2014, doi: <a href="https://doi.org/10.1002/ejoc.201403113">10.1002/ejoc.201403113</a>.'
  mla: Werner, Thomas, et al. “First Microwave-Assisted Catalytic Wittig Reaction.”
    <i>European Journal of Organic Chemistry</i>, vol. 2014, no. 31, Wiley, 2014,
    pp. 6873–76, doi:<a href="https://doi.org/10.1002/ejoc.201403113">10.1002/ejoc.201403113</a>.
  short: T. Werner, M. Hoffmann, S. Deshmukh, European Journal of Organic Chemistry
    2014 (2014) 6873–6876.
date_created: 2023-01-22T21:09:40Z
date_updated: 2025-11-10T09:35:08Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1002/ejoc.201403113
extern: '1'
intvolume: '      2014'
issue: '31'
keyword:
- T2
- CSSD
language:
- iso: eng
page: 6873-6876
publication: European Journal of Organic Chemistry
publication_identifier:
  issn:
  - 1434-193X
publication_status: published
publisher: Wiley
status: public
title: First Microwave-Assisted Catalytic Wittig Reaction
type: journal_article
user_id: '89271'
volume: 2014
year: '2014'
...
---
_id: '38002'
alternative_title:
- First Enantioselective Catalytic Wittig Reaction
author:
- first_name: Thomas
  full_name: Werner, Thomas
  id: '89271'
  last_name: Werner
  orcid: 0000-0001-9025-3244
- first_name: Marcel
  full_name: Hoffmann, Marcel
  last_name: Hoffmann
- first_name: Sunetra
  full_name: Deshmukh, Sunetra
  last_name: Deshmukh
citation:
  ama: Werner T, Hoffmann M, Deshmukh S. First Enantioselective Catalytic Wittig Reaction.
    <i>European Journal of Organic Chemistry</i>. 2014;2014(30):6630-6633. doi:<a
    href="https://doi.org/10.1002/ejoc.201402941">10.1002/ejoc.201402941</a>
  apa: Werner, T., Hoffmann, M., &#38; Deshmukh, S. (2014). First Enantioselective
    Catalytic Wittig Reaction. <i>European Journal of Organic Chemistry</i>, <i>2014</i>(30),
    6630–6633. <a href="https://doi.org/10.1002/ejoc.201402941">https://doi.org/10.1002/ejoc.201402941</a>
  bibtex: '@article{Werner_Hoffmann_Deshmukh_2014, title={First Enantioselective Catalytic
    Wittig Reaction}, volume={2014}, DOI={<a href="https://doi.org/10.1002/ejoc.201402941">10.1002/ejoc.201402941</a>},
    number={30}, journal={European Journal of Organic Chemistry}, publisher={Wiley},
    author={Werner, Thomas and Hoffmann, Marcel and Deshmukh, Sunetra}, year={2014},
    pages={6630–6633} }'
  chicago: 'Werner, Thomas, Marcel Hoffmann, and Sunetra Deshmukh. “First Enantioselective
    Catalytic Wittig Reaction.” <i>European Journal of Organic Chemistry</i> 2014,
    no. 30 (2014): 6630–33. <a href="https://doi.org/10.1002/ejoc.201402941">https://doi.org/10.1002/ejoc.201402941</a>.'
  ieee: 'T. Werner, M. Hoffmann, and S. Deshmukh, “First Enantioselective Catalytic
    Wittig Reaction,” <i>European Journal of Organic Chemistry</i>, vol. 2014, no.
    30, pp. 6630–6633, 2014, doi: <a href="https://doi.org/10.1002/ejoc.201402941">10.1002/ejoc.201402941</a>.'
  mla: Werner, Thomas, et al. “First Enantioselective Catalytic Wittig Reaction.”
    <i>European Journal of Organic Chemistry</i>, vol. 2014, no. 30, Wiley, 2014,
    pp. 6630–33, doi:<a href="https://doi.org/10.1002/ejoc.201402941">10.1002/ejoc.201402941</a>.
  short: T. Werner, M. Hoffmann, S. Deshmukh, European Journal of Organic Chemistry
    2014 (2014) 6630–6633.
date_created: 2023-01-22T21:09:58Z
date_updated: 2025-11-10T09:34:45Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1002/ejoc.201402941
extern: '1'
intvolume: '      2014'
issue: '30'
keyword:
- T2
- CSSD
language:
- iso: eng
page: 6630-6633
publication: European Journal of Organic Chemistry
publication_identifier:
  issn:
  - 1434-193X
publication_status: published
publisher: Wiley
status: public
title: First Enantioselective Catalytic Wittig Reaction
type: journal_article
user_id: '89271'
volume: 2014
year: '2014'
...
---
_id: '37999'
author:
- first_name: Thomas
  full_name: Werner, Thomas
  id: '89271'
  last_name: Werner
  orcid: 0000-0001-9025-3244
- first_name: Nils
  full_name: Tenhumberg, Nils
  last_name: Tenhumberg
- first_name: Hendrik
  full_name: Büttner, Hendrik
  last_name: Büttner
citation:
  ama: 'Werner T, Tenhumberg N, Büttner H. Hydroxyl-Functionalized Imidazoles: Highly
    Active Additives for the Potassium Iodide-Catalyzed Synthesis of 1,3-Dioxolan-2-one
    Derivatives from Epoxides and Carbon Dioxide. <i>ChemCatChem</i>. 2014;6(12):3493-3500.
    doi:<a href="https://doi.org/10.1002/cctc.201402572">10.1002/cctc.201402572</a>'
  apa: 'Werner, T., Tenhumberg, N., &#38; Büttner, H. (2014). Hydroxyl-Functionalized
    Imidazoles: Highly Active Additives for the Potassium Iodide-Catalyzed Synthesis
    of 1,3-Dioxolan-2-one Derivatives from Epoxides and Carbon Dioxide. <i>ChemCatChem</i>,
    <i>6</i>(12), 3493–3500. <a href="https://doi.org/10.1002/cctc.201402572">https://doi.org/10.1002/cctc.201402572</a>'
  bibtex: '@article{Werner_Tenhumberg_Büttner_2014, title={Hydroxyl-Functionalized
    Imidazoles: Highly Active Additives for the Potassium Iodide-Catalyzed Synthesis
    of 1,3-Dioxolan-2-one Derivatives from Epoxides and Carbon Dioxide}, volume={6},
    DOI={<a href="https://doi.org/10.1002/cctc.201402572">10.1002/cctc.201402572</a>},
    number={12}, journal={ChemCatChem}, publisher={Wiley}, author={Werner, Thomas
    and Tenhumberg, Nils and Büttner, Hendrik}, year={2014}, pages={3493–3500} }'
  chicago: 'Werner, Thomas, Nils Tenhumberg, and Hendrik Büttner. “Hydroxyl-Functionalized
    Imidazoles: Highly Active Additives for the Potassium Iodide-Catalyzed Synthesis
    of 1,3-Dioxolan-2-One Derivatives from Epoxides and Carbon Dioxide.” <i>ChemCatChem</i>
    6, no. 12 (2014): 3493–3500. <a href="https://doi.org/10.1002/cctc.201402572">https://doi.org/10.1002/cctc.201402572</a>.'
  ieee: 'T. Werner, N. Tenhumberg, and H. Büttner, “Hydroxyl-Functionalized Imidazoles:
    Highly Active Additives for the Potassium Iodide-Catalyzed Synthesis of 1,3-Dioxolan-2-one
    Derivatives from Epoxides and Carbon Dioxide,” <i>ChemCatChem</i>, vol. 6, no.
    12, pp. 3493–3500, 2014, doi: <a href="https://doi.org/10.1002/cctc.201402572">10.1002/cctc.201402572</a>.'
  mla: 'Werner, Thomas, et al. “Hydroxyl-Functionalized Imidazoles: Highly Active
    Additives for the Potassium Iodide-Catalyzed Synthesis of 1,3-Dioxolan-2-One Derivatives
    from Epoxides and Carbon Dioxide.” <i>ChemCatChem</i>, vol. 6, no. 12, Wiley,
    2014, pp. 3493–500, doi:<a href="https://doi.org/10.1002/cctc.201402572">10.1002/cctc.201402572</a>.'
  short: T. Werner, N. Tenhumberg, H. Büttner, ChemCatChem 6 (2014) 3493–3500.
date_created: 2023-01-22T21:08:51Z
date_updated: 2025-11-10T09:33:53Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1002/cctc.201402572
extern: '1'
intvolume: '         6'
issue: '12'
keyword:
- T1
- CSSD
language:
- iso: eng
page: 3493-3500
publication: ChemCatChem
publication_identifier:
  issn:
  - 1867-3880
publication_status: published
publisher: Wiley
status: public
title: 'Hydroxyl-Functionalized Imidazoles: Highly Active Additives for the Potassium
  Iodide-Catalyzed Synthesis of 1,3-Dioxolan-2-one Derivatives from Epoxides and Carbon
  Dioxide'
type: journal_article
user_id: '89271'
volume: 6
year: '2014'
...
---
_id: '38005'
author:
- first_name: Thomas
  full_name: Werner, Thomas
  id: '89271'
  last_name: Werner
  orcid: 0000-0001-9025-3244
- first_name: Nils
  full_name: Tenhumberg, Nils
  last_name: Tenhumberg
citation:
  ama: Werner T, Tenhumberg N. Synthesis of cyclic carbonates from epoxides and CO2
    catalyzed by potassium iodide and amino alcohols. <i>Journal of CO2 Utilization</i>.
    2014;7:39-45. doi:<a href="https://doi.org/10.1016/j.jcou.2014.04.002">10.1016/j.jcou.2014.04.002</a>
  apa: Werner, T., &#38; Tenhumberg, N. (2014). Synthesis of cyclic carbonates from
    epoxides and CO2 catalyzed by potassium iodide and amino alcohols. <i>Journal
    of CO2 Utilization</i>, <i>7</i>, 39–45. <a href="https://doi.org/10.1016/j.jcou.2014.04.002">https://doi.org/10.1016/j.jcou.2014.04.002</a>
  bibtex: '@article{Werner_Tenhumberg_2014, title={Synthesis of cyclic carbonates
    from epoxides and CO2 catalyzed by potassium iodide and amino alcohols}, volume={7},
    DOI={<a href="https://doi.org/10.1016/j.jcou.2014.04.002">10.1016/j.jcou.2014.04.002</a>},
    journal={Journal of CO2 Utilization}, publisher={Elsevier BV}, author={Werner,
    Thomas and Tenhumberg, Nils}, year={2014}, pages={39–45} }'
  chicago: 'Werner, Thomas, and Nils Tenhumberg. “Synthesis of Cyclic Carbonates from
    Epoxides and CO2 Catalyzed by Potassium Iodide and Amino Alcohols.” <i>Journal
    of CO2 Utilization</i> 7 (2014): 39–45. <a href="https://doi.org/10.1016/j.jcou.2014.04.002">https://doi.org/10.1016/j.jcou.2014.04.002</a>.'
  ieee: 'T. Werner and N. Tenhumberg, “Synthesis of cyclic carbonates from epoxides
    and CO2 catalyzed by potassium iodide and amino alcohols,” <i>Journal of CO2 Utilization</i>,
    vol. 7, pp. 39–45, 2014, doi: <a href="https://doi.org/10.1016/j.jcou.2014.04.002">10.1016/j.jcou.2014.04.002</a>.'
  mla: Werner, Thomas, and Nils Tenhumberg. “Synthesis of Cyclic Carbonates from Epoxides
    and CO2 Catalyzed by Potassium Iodide and Amino Alcohols.” <i>Journal of CO2 Utilization</i>,
    vol. 7, Elsevier BV, 2014, pp. 39–45, doi:<a href="https://doi.org/10.1016/j.jcou.2014.04.002">10.1016/j.jcou.2014.04.002</a>.
  short: T. Werner, N. Tenhumberg, Journal of CO2 Utilization 7 (2014) 39–45.
date_created: 2023-01-22T21:10:59Z
date_updated: 2025-11-10T09:34:21Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1016/j.jcou.2014.04.002
extern: '1'
intvolume: '         7'
keyword:
- T1
- CSSD
language:
- iso: eng
page: 39-45
publication: Journal of CO2 Utilization
publication_identifier:
  issn:
  - 2212-9820
publication_status: published
publisher: Elsevier BV
status: public
title: Synthesis of cyclic carbonates from epoxides and CO2 catalyzed by potassium
  iodide and amino alcohols
type: journal_article
user_id: '89271'
volume: 7
year: '2014'
...
---
_id: '38000'
author:
- first_name: Thomas
  full_name: Werner, Thomas
  id: '89271'
  last_name: Werner
  orcid: 0000-0001-9025-3244
- first_name: Hendrik
  full_name: Büttner, Hendrik
  last_name: Büttner
citation:
  ama: Werner T, Büttner H. Phosphorus-based Bifunctional Organocatalysts for the
    Addition of Carbon Dioxide and Epoxides. <i>ChemSusChem</i>. 2014;7(12):3268-3271.
    doi:<a href="https://doi.org/10.1002/cssc.201402477">10.1002/cssc.201402477</a>
  apa: Werner, T., &#38; Büttner, H. (2014). Phosphorus-based Bifunctional Organocatalysts
    for the Addition of Carbon Dioxide and Epoxides. <i>ChemSusChem</i>, <i>7</i>(12),
    3268–3271. <a href="https://doi.org/10.1002/cssc.201402477">https://doi.org/10.1002/cssc.201402477</a>
  bibtex: '@article{Werner_Büttner_2014, title={Phosphorus-based Bifunctional Organocatalysts
    for the Addition of Carbon Dioxide and Epoxides}, volume={7}, DOI={<a href="https://doi.org/10.1002/cssc.201402477">10.1002/cssc.201402477</a>},
    number={12}, journal={ChemSusChem}, publisher={Wiley}, author={Werner, Thomas
    and Büttner, Hendrik}, year={2014}, pages={3268–3271} }'
  chicago: 'Werner, Thomas, and Hendrik Büttner. “Phosphorus-Based Bifunctional Organocatalysts
    for the Addition of Carbon Dioxide and Epoxides.” <i>ChemSusChem</i> 7, no. 12
    (2014): 3268–71. <a href="https://doi.org/10.1002/cssc.201402477">https://doi.org/10.1002/cssc.201402477</a>.'
  ieee: 'T. Werner and H. Büttner, “Phosphorus-based Bifunctional Organocatalysts
    for the Addition of Carbon Dioxide and Epoxides,” <i>ChemSusChem</i>, vol. 7,
    no. 12, pp. 3268–3271, 2014, doi: <a href="https://doi.org/10.1002/cssc.201402477">10.1002/cssc.201402477</a>.'
  mla: Werner, Thomas, and Hendrik Büttner. “Phosphorus-Based Bifunctional Organocatalysts
    for the Addition of Carbon Dioxide and Epoxides.” <i>ChemSusChem</i>, vol. 7,
    no. 12, Wiley, 2014, pp. 3268–71, doi:<a href="https://doi.org/10.1002/cssc.201402477">10.1002/cssc.201402477</a>.
  short: T. Werner, H. Büttner, ChemSusChem 7 (2014) 3268–3271.
date_created: 2023-01-22T21:09:23Z
date_updated: 2025-11-10T09:38:53Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1002/cssc.201402477
extern: '1'
intvolume: '         7'
issue: '12'
keyword:
- T1
- T2
- CSSD
language:
- iso: eng
page: 3268-3271
publication: ChemSusChem
publication_identifier:
  issn:
  - 1864-5631
publication_status: published
publisher: Wiley
status: public
title: Phosphorus-based Bifunctional Organocatalysts for the Addition of Carbon Dioxide
  and Epoxides
type: journal_article
user_id: '89271'
volume: 7
year: '2014'
...
---
_id: '20945'
abstract:
- lang: eng
  text: Calcium-Silicate-Hydrates (C-S-H) are the main binding phases in most concrete
    which is the primarily used composite construction material in the world. However,
    a big lack is cleaving between the actual knowledge about C-S-H, compared to what
    could be reached using state-of-the-art technologies of modern research. In this
    article, the formation of a C-S-H phase on a native oxide covered silicon wafer
    is investigated by means of in-situ attenuated total reflection infrared (ATR-IR)
    and ex-situ surface-enhanced Raman spectroscopy (SERS). The total thickness of
    the C-S-H phase is determined by X-ray photoelectron spectroscopy (XPS) to be
    3 nm. The formation appears to be reversible depending on the environment pH value
    and can be performed at room temperature. Based on density functional theory (DFT)
    calculations, it is shown that the C-S-H phase in the presence of water will change
    its chemical composition in order to reach the thermodynamic ground state of the
    system. This change is achieved by a metal-proton exchange reaction. The stoichiometry
    of these metal-proton exchange reactions is nearly independent of the environment
    pH value. Electrokinetic measurements yield isoelectric points of 2.0 and 2.6
    for the native oxide covered silicon wafer (SiO2) and the C-S-H phase. This is
    consistent with a predominance of Si-O sites at the C-S-H/water interface. (C)
    2013 Elsevier B. V. All rights reserved.
author:
- first_name: Christoph
  full_name: Ebbert, Christoph
  id: '7266'
  last_name: Ebbert
- first_name: Guido
  full_name: Grundmeier, Guido
  id: '194'
  last_name: Grundmeier
- first_name: Nadine
  full_name: Buitkamp, Nadine
  id: '1449'
  last_name: Buitkamp
- first_name: Alexander
  full_name: Kroeger, Alexander
  last_name: Kroeger
- first_name: Florian
  full_name: Messerschmidt, Florian
  last_name: Messerschmidt
- first_name: Peter
  full_name: Thissen, Peter
  last_name: Thissen
citation:
  ama: Ebbert C, Grundmeier G, Buitkamp N, Kroeger A, Messerschmidt F, Thissen P.
    Toward a microscopic understanding of the calcium-silicate-hydrates/water interface.
    <i>APPLIED SURFACE SCIENCE</i>. 2014;290:207-214. doi:<a href="https://doi.org/10.1016/j.apsusc.2013.11.045">10.1016/j.apsusc.2013.11.045</a>
  apa: Ebbert, C., Grundmeier, G., Buitkamp, N., Kroeger, A., Messerschmidt, F., &#38;
    Thissen, P. (2014). Toward a microscopic understanding of the calcium-silicate-hydrates/water
    interface. <i>APPLIED SURFACE SCIENCE</i>, <i>290</i>, 207–214. <a href="https://doi.org/10.1016/j.apsusc.2013.11.045">https://doi.org/10.1016/j.apsusc.2013.11.045</a>
  bibtex: '@article{Ebbert_Grundmeier_Buitkamp_Kroeger_Messerschmidt_Thissen_2014,
    title={Toward a microscopic understanding of the calcium-silicate-hydrates/water
    interface}, volume={290}, DOI={<a href="https://doi.org/10.1016/j.apsusc.2013.11.045">10.1016/j.apsusc.2013.11.045</a>},
    journal={APPLIED SURFACE SCIENCE}, author={Ebbert, Christoph and Grundmeier, Guido
    and Buitkamp, Nadine and Kroeger, Alexander and Messerschmidt, Florian and Thissen,
    Peter}, year={2014}, pages={207–214} }'
  chicago: 'Ebbert, Christoph, Guido Grundmeier, Nadine Buitkamp, Alexander Kroeger,
    Florian Messerschmidt, and Peter Thissen. “Toward a Microscopic Understanding
    of the Calcium-Silicate-Hydrates/Water Interface.” <i>APPLIED SURFACE SCIENCE</i>
    290 (2014): 207–14. <a href="https://doi.org/10.1016/j.apsusc.2013.11.045">https://doi.org/10.1016/j.apsusc.2013.11.045</a>.'
  ieee: 'C. Ebbert, G. Grundmeier, N. Buitkamp, A. Kroeger, F. Messerschmidt, and
    P. Thissen, “Toward a microscopic understanding of the calcium-silicate-hydrates/water
    interface,” <i>APPLIED SURFACE SCIENCE</i>, vol. 290, pp. 207–214, 2014, doi:
    <a href="https://doi.org/10.1016/j.apsusc.2013.11.045">10.1016/j.apsusc.2013.11.045</a>.'
  mla: Ebbert, Christoph, et al. “Toward a Microscopic Understanding of the Calcium-Silicate-Hydrates/Water
    Interface.” <i>APPLIED SURFACE SCIENCE</i>, vol. 290, 2014, pp. 207–14, doi:<a
    href="https://doi.org/10.1016/j.apsusc.2013.11.045">10.1016/j.apsusc.2013.11.045</a>.
  short: C. Ebbert, G. Grundmeier, N. Buitkamp, A. Kroeger, F. Messerschmidt, P. Thissen,
    APPLIED SURFACE SCIENCE 290 (2014) 207–214.
date_created: 2021-01-13T10:12:51Z
date_updated: 2025-11-18T12:05:39Z
department:
- _id: '35'
- _id: '302'
- _id: '321'
doi: 10.1016/j.apsusc.2013.11.045
external_id:
  isi:
  - '000329060100032'
intvolume: '       290'
isi: '1'
language:
- iso: eng
page: 207-214
publication: APPLIED SURFACE SCIENCE
publication_identifier:
  eissn:
  - 1873-5584
  issn:
  - 0169-4332
publication_status: published
quality_controlled: '1'
status: public
title: Toward a microscopic understanding of the calcium-silicate-hydrates/water interface
type: journal_article
user_id: '7266'
volume: 290
year: '2014'
...
---
_id: '54292'
author:
- first_name: Marina
  full_name: Kley, Marina
  id: '11841'
  last_name: Kley
  orcid: 0000-0002-8628-7035
- first_name: A.
  full_name: Kempter, A.
  last_name: Kempter
- first_name: V.
  full_name: Boyko, V.
  last_name: Boyko
- first_name: Klaus
  full_name: Huber, Klaus
  id: '237'
  last_name: Huber
citation:
  ama: Kley M, Kempter A, Boyko V, Huber K. Mechanistic Studies of Silica Polymerization
    from Supersaturated Aqueous Solutions by Means of Time-Resolved Light Scattering.
    <i>Langmuir</i>. 2014;30(42):12664-12674. doi:<a href="https://doi.org/10.1021/la502730y">10.1021/la502730y</a>
  apa: Kley, M., Kempter, A., Boyko, V., &#38; Huber, K. (2014). Mechanistic Studies
    of Silica Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved
    Light Scattering. <i>Langmuir</i>, <i>30</i>(42), 12664–12674. <a href="https://doi.org/10.1021/la502730y">https://doi.org/10.1021/la502730y</a>
  bibtex: '@article{Kley_Kempter_Boyko_Huber_2014, title={Mechanistic Studies of Silica
    Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved
    Light Scattering}, volume={30}, DOI={<a href="https://doi.org/10.1021/la502730y">10.1021/la502730y</a>},
    number={42}, journal={Langmuir}, publisher={American Chemical Society (ACS)},
    author={Kley, Marina and Kempter, A. and Boyko, V. and Huber, Klaus}, year={2014},
    pages={12664–12674} }'
  chicago: 'Kley, Marina, A. Kempter, V. Boyko, and Klaus Huber. “Mechanistic Studies
    of Silica Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved
    Light Scattering.” <i>Langmuir</i> 30, no. 42 (2014): 12664–74. <a href="https://doi.org/10.1021/la502730y">https://doi.org/10.1021/la502730y</a>.'
  ieee: 'M. Kley, A. Kempter, V. Boyko, and K. Huber, “Mechanistic Studies of Silica
    Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved
    Light Scattering,” <i>Langmuir</i>, vol. 30, no. 42, pp. 12664–12674, 2014, doi:
    <a href="https://doi.org/10.1021/la502730y">10.1021/la502730y</a>.'
  mla: Kley, Marina, et al. “Mechanistic Studies of Silica Polymerization from Supersaturated
    Aqueous Solutions by Means of Time-Resolved Light Scattering.” <i>Langmuir</i>,
    vol. 30, no. 42, American Chemical Society (ACS), 2014, pp. 12664–74, doi:<a href="https://doi.org/10.1021/la502730y">10.1021/la502730y</a>.
  short: M. Kley, A. Kempter, V. Boyko, K. Huber, Langmuir 30 (2014) 12664–12674.
date_created: 2024-05-15T11:57:59Z
date_updated: 2025-11-18T16:28:44Z
department:
- _id: '314'
doi: 10.1021/la502730y
intvolume: '        30'
issue: '42'
language:
- iso: eng
page: 12664-12674
publication: Langmuir
publication_identifier:
  issn:
  - 0743-7463
  - 1520-5827
publication_status: published
publisher: American Chemical Society (ACS)
quality_controlled: '1'
status: public
title: Mechanistic Studies of Silica Polymerization from Supersaturated Aqueous Solutions
  by Means of Time-Resolved Light Scattering
type: journal_article
user_id: '237'
volume: 30
year: '2014'
...
---
_id: '36308'
author:
- first_name: Christoph
  full_name: Vogelsang, Christoph
  id: '4245'
  last_name: Vogelsang
  orcid: 0000-0002-5804-1855
citation:
  ama: Vogelsang C. <i>Validierung eines Instruments zur Erfassung der professionellen
    Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen
    Lehrerkompetenz und Lehrerperformanz</i>. LOGOS; 2014.
  apa: Vogelsang, C. (2014). <i>Validierung eines Instruments zur Erfassung der professionellen
    Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen
    Lehrerkompetenz und Lehrerperformanz</i>. LOGOS.
  bibtex: '@book{Vogelsang_2014, place={Berlin}, title={Validierung eines Instruments
    zur Erfassung der professionellen Handlungskompetenz von (angehenden) Physiklehrkräften.
    Zusammenhangsanalysen zwischen Lehrerkompetenz und Lehrerperformanz}, publisher={LOGOS},
    author={Vogelsang, Christoph}, year={2014} }'
  chicago: 'Vogelsang, Christoph. <i>Validierung eines Instruments zur Erfassung der
    professionellen Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen
    zwischen Lehrerkompetenz und Lehrerperformanz</i>. Berlin: LOGOS, 2014.'
  ieee: 'C. Vogelsang, <i>Validierung eines Instruments zur Erfassung der professionellen
    Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen
    Lehrerkompetenz und Lehrerperformanz</i>. Berlin: LOGOS, 2014.'
  mla: Vogelsang, Christoph. <i>Validierung eines Instruments zur Erfassung der professionellen
    Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen
    Lehrerkompetenz und Lehrerperformanz</i>. LOGOS, 2014.
  short: C. Vogelsang, Validierung eines Instruments zur Erfassung der professionellen
    Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen
    Lehrerkompetenz und Lehrerperformanz, LOGOS, Berlin, 2014.
date_created: 2023-01-12T08:59:16Z
date_updated: 2025-12-03T11:12:18Z
department:
- _id: '299'
- _id: '33'
- _id: '586'
language:
- iso: ger
place: Berlin
publication_status: published
publisher: LOGOS
status: public
title: Validierung eines Instruments zur Erfassung der professionellen Handlungskompetenz
  von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen Lehrerkompetenz
  und Lehrerperformanz
type: book
user_id: '4245'
year: '2014'
...
---
_id: '62785'
abstract:
- lang: eng
  text: <jats:title>SUMMARY</jats:title><jats:p>We introduce a material model for
    the simulation of polycrystalline materials undergoing solid‐to‐solid phase‐transformations.
    As a basis, we present a scalar‐valued phase‐transformation model where a Helmholtz
    free energy function depending on volumetric and deviatoric strain measures is
    assigned to each phase. The analysis of the related overall Gibbs energy density
    allows for the calculation of energy barriers. With these quantities at hand,
    we use a statistical‐physics‐based approach to determine the resulting evolution
    of volume fractions. Though the model facilitates to take into account an arbitrary
    number of solid phases of the underlying material, we restrict this work to the
    simulation of phase‐transformations between an austenitic parent phase and a martensitic
    tension and compression phase. The scalar model is embedded into a computational
    micro‐sphere formulation in view of the simulation of three‐dimensional boundary
    value problems. The final modelling approach necessary for macroscopic simulations
    is accomplished by a finite element formulation, where the local material behaviour
    at each integration point is governed by the response of the micro‐sphere model.Copyright
    © 2014 John Wiley &amp; Sons, Ltd.</jats:p>
author:
- first_name: Richard
  full_name: Ostwald, Richard
  id: '106876'
  last_name: Ostwald
  orcid: 0000-0003-2147-8444
- first_name: Thorsten
  full_name: Bartel, Thorsten
  last_name: Bartel
- first_name: Andreas
  full_name: Menzel, Andreas
  last_name: Menzel
citation:
  ama: Ostwald R, Bartel T, Menzel A. A Gibbs‐energy‐barrier‐based computational micro‐sphere
    model for the simulation of martensitic phase‐transformations. <i>International
    Journal for Numerical Methods in Engineering</i>. 2014;97(12):851-877. doi:<a
    href="https://doi.org/10.1002/nme.4601">10.1002/nme.4601</a>
  apa: Ostwald, R., Bartel, T., &#38; Menzel, A. (2014). A Gibbs‐energy‐barrier‐based
    computational micro‐sphere model for the simulation of martensitic phase‐transformations.
    <i>International Journal for Numerical Methods in Engineering</i>, <i>97</i>(12),
    851–877. <a href="https://doi.org/10.1002/nme.4601">https://doi.org/10.1002/nme.4601</a>
  bibtex: '@article{Ostwald_Bartel_Menzel_2014, title={A Gibbs‐energy‐barrier‐based
    computational micro‐sphere model for the simulation of martensitic phase‐transformations},
    volume={97}, DOI={<a href="https://doi.org/10.1002/nme.4601">10.1002/nme.4601</a>},
    number={12}, journal={International Journal for Numerical Methods in Engineering},
    publisher={Wiley}, author={Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas},
    year={2014}, pages={851–877} }'
  chicago: 'Ostwald, Richard, Thorsten Bartel, and Andreas Menzel. “A Gibbs‐energy‐barrier‐based
    Computational Micro‐sphere Model for the Simulation of Martensitic Phase‐transformations.”
    <i>International Journal for Numerical Methods in Engineering</i> 97, no. 12 (2014):
    851–77. <a href="https://doi.org/10.1002/nme.4601">https://doi.org/10.1002/nme.4601</a>.'
  ieee: 'R. Ostwald, T. Bartel, and A. Menzel, “A Gibbs‐energy‐barrier‐based computational
    micro‐sphere model for the simulation of martensitic phase‐transformations,” <i>International
    Journal for Numerical Methods in Engineering</i>, vol. 97, no. 12, pp. 851–877,
    2014, doi: <a href="https://doi.org/10.1002/nme.4601">10.1002/nme.4601</a>.'
  mla: Ostwald, Richard, et al. “A Gibbs‐energy‐barrier‐based Computational Micro‐sphere
    Model for the Simulation of Martensitic Phase‐transformations.” <i>International
    Journal for Numerical Methods in Engineering</i>, vol. 97, no. 12, Wiley, 2014,
    pp. 851–77, doi:<a href="https://doi.org/10.1002/nme.4601">10.1002/nme.4601</a>.
  short: R. Ostwald, T. Bartel, A. Menzel, International Journal for Numerical Methods
    in Engineering 97 (2014) 851–877.
date_created: 2025-12-03T13:13:55Z
date_updated: 2025-12-03T13:14:32Z
department:
- _id: '952'
- _id: '321'
doi: 10.1002/nme.4601
intvolume: '        97'
issue: '12'
language:
- iso: eng
page: 851-877
publication: International Journal for Numerical Methods in Engineering
publication_identifier:
  issn:
  - 0029-5981
  - 1097-0207
publication_status: published
publisher: Wiley
quality_controlled: '1'
status: public
title: A Gibbs‐energy‐barrier‐based computational micro‐sphere model for the simulation
  of martensitic phase‐transformations
type: journal_article
user_id: '85414'
volume: 97
year: '2014'
...
---
_id: '62786'
author:
- first_name: Richard
  full_name: Ostwald, Richard
  id: '106876'
  last_name: Ostwald
  orcid: 0000-0003-2147-8444
- first_name: Marcel
  full_name: Tiffe, Marcel
  last_name: Tiffe
- first_name: Thorsten
  full_name: Bartel, Thorsten
  last_name: Bartel
- first_name: Andreas
  full_name: Zabel, Andreas
  last_name: Zabel
- first_name: Andreas
  full_name: Menzel, Andreas
  last_name: Menzel
- first_name: Dirk
  full_name: Biermann, Dirk
  last_name: Biermann
citation:
  ama: 'Ostwald R, Tiffe M, Bartel T, Zabel A, Menzel A, Biermann D. Towards the multi-scale
    simulation of martensitic phase-transformations: An efficient post-processing
    approach applied to turning processes. <i>Journal of Materials Processing Technology</i>.
    2014;214(8):1516-1523. doi:<a href="https://doi.org/10.1016/j.jmatprotec.2014.02.022">10.1016/j.jmatprotec.2014.02.022</a>'
  apa: 'Ostwald, R., Tiffe, M., Bartel, T., Zabel, A., Menzel, A., &#38; Biermann,
    D. (2014). Towards the multi-scale simulation of martensitic phase-transformations:
    An efficient post-processing approach applied to turning processes. <i>Journal
    of Materials Processing Technology</i>, <i>214</i>(8), 1516–1523. <a href="https://doi.org/10.1016/j.jmatprotec.2014.02.022">https://doi.org/10.1016/j.jmatprotec.2014.02.022</a>'
  bibtex: '@article{Ostwald_Tiffe_Bartel_Zabel_Menzel_Biermann_2014, title={Towards
    the multi-scale simulation of martensitic phase-transformations: An efficient
    post-processing approach applied to turning processes}, volume={214}, DOI={<a
    href="https://doi.org/10.1016/j.jmatprotec.2014.02.022">10.1016/j.jmatprotec.2014.02.022</a>},
    number={8}, journal={Journal of Materials Processing Technology}, publisher={Elsevier
    BV}, author={Ostwald, Richard and Tiffe, Marcel and Bartel, Thorsten and Zabel,
    Andreas and Menzel, Andreas and Biermann, Dirk}, year={2014}, pages={1516–1523}
    }'
  chicago: 'Ostwald, Richard, Marcel Tiffe, Thorsten Bartel, Andreas Zabel, Andreas
    Menzel, and Dirk Biermann. “Towards the Multi-Scale Simulation of Martensitic
    Phase-Transformations: An Efficient Post-Processing Approach Applied to Turning
    Processes.” <i>Journal of Materials Processing Technology</i> 214, no. 8 (2014):
    1516–23. <a href="https://doi.org/10.1016/j.jmatprotec.2014.02.022">https://doi.org/10.1016/j.jmatprotec.2014.02.022</a>.'
  ieee: 'R. Ostwald, M. Tiffe, T. Bartel, A. Zabel, A. Menzel, and D. Biermann, “Towards
    the multi-scale simulation of martensitic phase-transformations: An efficient
    post-processing approach applied to turning processes,” <i>Journal of Materials
    Processing Technology</i>, vol. 214, no. 8, pp. 1516–1523, 2014, doi: <a href="https://doi.org/10.1016/j.jmatprotec.2014.02.022">10.1016/j.jmatprotec.2014.02.022</a>.'
  mla: 'Ostwald, Richard, et al. “Towards the Multi-Scale Simulation of Martensitic
    Phase-Transformations: An Efficient Post-Processing Approach Applied to Turning
    Processes.” <i>Journal of Materials Processing Technology</i>, vol. 214, no. 8,
    Elsevier BV, 2014, pp. 1516–23, doi:<a href="https://doi.org/10.1016/j.jmatprotec.2014.02.022">10.1016/j.jmatprotec.2014.02.022</a>.'
  short: R. Ostwald, M. Tiffe, T. Bartel, A. Zabel, A. Menzel, D. Biermann, Journal
    of Materials Processing Technology 214 (2014) 1516–1523.
date_created: 2025-12-03T13:15:00Z
date_updated: 2025-12-03T13:15:39Z
department:
- _id: '952'
- _id: '321'
doi: 10.1016/j.jmatprotec.2014.02.022
intvolume: '       214'
issue: '8'
language:
- iso: eng
page: 1516-1523
publication: Journal of Materials Processing Technology
publication_identifier:
  issn:
  - 0924-0136
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: 'Towards the multi-scale simulation of martensitic phase-transformations: An
  efficient post-processing approach applied to turning processes'
type: journal_article
user_id: '85414'
volume: 214
year: '2014'
...
---
_id: '10036'
author:
- first_name: Rebecca
  full_name: Hölscher, Rebecca
  last_name: Hölscher
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
citation:
  ama: Hölscher R, Schmidt WG, Sanna S. Modeling LiNbO3 Surfaces at Ambient Conditions.
    <i>The Journal of Physical Chemistry C</i>. Published online 2014:10213-10220.
    doi:<a href="https://doi.org/10.1021/jp502936f">10.1021/jp502936f</a>
  apa: Hölscher, R., Schmidt, W. G., &#38; Sanna, S. (2014). Modeling LiNbO3 Surfaces
    at Ambient Conditions. <i>The Journal of Physical Chemistry C</i>, 10213–10220.
    <a href="https://doi.org/10.1021/jp502936f">https://doi.org/10.1021/jp502936f</a>
  bibtex: '@article{Hölscher_Schmidt_Sanna_2014, title={Modeling LiNbO3 Surfaces at
    Ambient Conditions}, DOI={<a href="https://doi.org/10.1021/jp502936f">10.1021/jp502936f</a>},
    journal={The Journal of Physical Chemistry C}, author={Hölscher, Rebecca and Schmidt,
    Wolf Gero and Sanna, Simone}, year={2014}, pages={10213–10220} }'
  chicago: Hölscher, Rebecca, Wolf Gero Schmidt, and Simone Sanna. “Modeling LiNbO3
    Surfaces at Ambient Conditions.” <i>The Journal of Physical Chemistry C</i>, 2014,
    10213–20. <a href="https://doi.org/10.1021/jp502936f">https://doi.org/10.1021/jp502936f</a>.
  ieee: 'R. Hölscher, W. G. Schmidt, and S. Sanna, “Modeling LiNbO3 Surfaces at Ambient
    Conditions,” <i>The Journal of Physical Chemistry C</i>, pp. 10213–10220, 2014,
    doi: <a href="https://doi.org/10.1021/jp502936f">10.1021/jp502936f</a>.'
  mla: Hölscher, Rebecca, et al. “Modeling LiNbO3 Surfaces at Ambient Conditions.”
    <i>The Journal of Physical Chemistry C</i>, 2014, pp. 10213–20, doi:<a href="https://doi.org/10.1021/jp502936f">10.1021/jp502936f</a>.
  short: R. Hölscher, W.G. Schmidt, S. Sanna, The Journal of Physical Chemistry C
    (2014) 10213–10220.
date_created: 2019-05-29T08:56:42Z
date_updated: 2025-12-05T09:57:24Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '429'
- _id: '27'
doi: 10.1021/jp502936f
funded_apc: '1'
language:
- iso: eng
page: 10213-10220
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
  name: TRR 142
- _id: '55'
  name: TRR 142 - Project Area B
- _id: '69'
  name: TRR 142 - Subproject B4
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
  - 1932-7455
publication_status: published
status: public
title: Modeling LiNbO3 Surfaces at Ambient Conditions
type: journal_article
user_id: '16199'
year: '2014'
...
---
_id: '13510'
author:
- first_name: Alexander
  full_name: Hoffmann, Alexander
  last_name: Hoffmann
- first_name: Martin
  full_name: Rohrmüller, Martin
  last_name: Rohrmüller
- first_name: Anton
  full_name: Jesser, Anton
  last_name: Jesser
- first_name: Ines
  full_name: dos Santos Vieira, Ines
  last_name: dos Santos Vieira
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Sonja
  full_name: Herres-Pawlis, Sonja
  last_name: Herres-Pawlis
citation:
  ama: 'Hoffmann A, Rohrmüller M, Jesser A, dos Santos Vieira I, Schmidt WG, Herres-Pawlis
    S. Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes:
    Insights from TD-DFT and many-body perturbation theory (part II). <i>Journal of
    Computational Chemistry</i>. 2014;35(29-30):2146-2161. doi:<a href="https://doi.org/10.1002/jcc.23740">10.1002/jcc.23740</a>'
  apa: 'Hoffmann, A., Rohrmüller, M., Jesser, A., dos Santos Vieira, I., Schmidt,
    W. G., &#38; Herres-Pawlis, S. (2014). Geometrical and optical benchmarking of
    copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation
    theory (part II). <i>Journal of Computational Chemistry</i>, <i>35</i>(29–30),
    2146–2161. <a href="https://doi.org/10.1002/jcc.23740">https://doi.org/10.1002/jcc.23740</a>'
  bibtex: '@article{Hoffmann_Rohrmüller_Jesser_dos Santos Vieira_Schmidt_Herres-Pawlis_2014,
    title={Geometrical and optical benchmarking of copper(II) guanidine-quinoline
    complexes: Insights from TD-DFT and many-body perturbation theory (part II)},
    volume={35}, DOI={<a href="https://doi.org/10.1002/jcc.23740">10.1002/jcc.23740</a>},
    number={29–30}, journal={Journal of Computational Chemistry}, author={Hoffmann,
    Alexander and Rohrmüller, Martin and Jesser, Anton and dos Santos Vieira, Ines
    and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}, year={2014}, pages={2146–2161}
    }'
  chicago: 'Hoffmann, Alexander, Martin Rohrmüller, Anton Jesser, Ines dos Santos
    Vieira, Wolf Gero Schmidt, and Sonja Herres-Pawlis. “Geometrical and Optical Benchmarking
    of Copper(II) Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body
    Perturbation Theory (Part II).” <i>Journal of Computational Chemistry</i> 35,
    no. 29–30 (2014): 2146–61. <a href="https://doi.org/10.1002/jcc.23740">https://doi.org/10.1002/jcc.23740</a>.'
  ieee: 'A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W. G. Schmidt,
    and S. Herres-Pawlis, “Geometrical and optical benchmarking of copper(II) guanidine-quinoline
    complexes: Insights from TD-DFT and many-body perturbation theory (part II),”
    <i>Journal of Computational Chemistry</i>, vol. 35, no. 29–30, pp. 2146–2161,
    2014, doi: <a href="https://doi.org/10.1002/jcc.23740">10.1002/jcc.23740</a>.'
  mla: 'Hoffmann, Alexander, et al. “Geometrical and Optical Benchmarking of Copper(II)
    Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation
    Theory (Part II).” <i>Journal of Computational Chemistry</i>, vol. 35, no. 29–30,
    2014, pp. 2146–61, doi:<a href="https://doi.org/10.1002/jcc.23740">10.1002/jcc.23740</a>.'
  short: A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W.G. Schmidt,
    S. Herres-Pawlis, Journal of Computational Chemistry 35 (2014) 2146–2161.
date_created: 2019-09-30T13:29:41Z
date_updated: 2025-12-05T10:34:29Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/jcc.23740
intvolume: '        35'
issue: 29-30
language:
- iso: eng
page: 2146-2161
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of Computational Chemistry
publication_identifier:
  issn:
  - 0192-8651
publication_status: published
status: public
title: 'Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes:
  Insights from TD-DFT and many-body perturbation theory (part II)'
type: journal_article
user_id: '16199'
volume: 35
year: '2014'
...
---
_id: '13509'
author:
- first_name: Deok Mahn
  full_name: Oh, Deok Mahn
  last_name: Oh
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Han Woong
  full_name: Yeom, Han Woong
  last_name: Yeom
citation:
  ama: 'Oh DM, Wippermann S, Schmidt WG, Yeom HW. Oxygen adsorbates on the Si(111)4×1-In
    metallic atomic wire: Scanning tunneling microscopy and density-functional theory
    calculations. <i>Physical Review B</i>. 2014;90(15). doi:<a href="https://doi.org/10.1103/physrevb.90.155432">10.1103/physrevb.90.155432</a>'
  apa: 'Oh, D. M., Wippermann, S., Schmidt, W. G., &#38; Yeom, H. W. (2014). Oxygen
    adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy
    and density-functional theory calculations. <i>Physical Review B</i>, <i>90</i>(15).
    <a href="https://doi.org/10.1103/physrevb.90.155432">https://doi.org/10.1103/physrevb.90.155432</a>'
  bibtex: '@article{Oh_Wippermann_Schmidt_Yeom_2014, title={Oxygen adsorbates on the
    Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional
    theory calculations}, volume={90}, DOI={<a href="https://doi.org/10.1103/physrevb.90.155432">10.1103/physrevb.90.155432</a>},
    number={15}, journal={Physical Review B}, author={Oh, Deok Mahn and Wippermann,
    S. and Schmidt, Wolf Gero and Yeom, Han Woong}, year={2014} }'
  chicago: 'Oh, Deok Mahn, S. Wippermann, Wolf Gero Schmidt, and Han Woong Yeom. “Oxygen
    Adsorbates on the Si(111)4×1-In Metallic Atomic Wire: Scanning Tunneling Microscopy
    and Density-Functional Theory Calculations.” <i>Physical Review B</i> 90, no.
    15 (2014). <a href="https://doi.org/10.1103/physrevb.90.155432">https://doi.org/10.1103/physrevb.90.155432</a>.'
  ieee: 'D. M. Oh, S. Wippermann, W. G. Schmidt, and H. W. Yeom, “Oxygen adsorbates
    on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional
    theory calculations,” <i>Physical Review B</i>, vol. 90, no. 15, 2014, doi: <a
    href="https://doi.org/10.1103/physrevb.90.155432">10.1103/physrevb.90.155432</a>.'
  mla: 'Oh, Deok Mahn, et al. “Oxygen Adsorbates on the Si(111)4×1-In Metallic Atomic
    Wire: Scanning Tunneling Microscopy and Density-Functional Theory Calculations.”
    <i>Physical Review B</i>, vol. 90, no. 15, 2014, doi:<a href="https://doi.org/10.1103/physrevb.90.155432">10.1103/physrevb.90.155432</a>.'
  short: D.M. Oh, S. Wippermann, W.G. Schmidt, H.W. Yeom, Physical Review B 90 (2014).
date_created: 2019-09-30T13:27:45Z
date_updated: 2025-12-05T10:34:49Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.90.155432
intvolume: '        90'
issue: '15'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: 'Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling
  microscopy and density-functional theory calculations'
type: journal_article
user_id: '16199'
volume: 90
year: '2014'
...
---
_id: '13511'
article_number: '253201'
author:
- first_name: M
  full_name: Landmann, M
  last_name: Landmann
- first_name: T
  full_name: Köhler, T
  last_name: Köhler
- first_name: E
  full_name: Rauls, E
  last_name: Rauls
- first_name: T
  full_name: Frauenheim, T
  last_name: Frauenheim
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Landmann M, Köhler T, Rauls E, Frauenheim T, Schmidt WG. The atomic structure
    of ternary amorphous TixSi1−xO2hybrid oxides. <i>Journal of Physics: Condensed
    Matter</i>. 2014;26. doi:<a href="https://doi.org/10.1088/0953-8984/26/25/253201">10.1088/0953-8984/26/25/253201</a>'
  apa: 'Landmann, M., Köhler, T., Rauls, E., Frauenheim, T., &#38; Schmidt, W. G.
    (2014). The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides. <i>Journal
    of Physics: Condensed Matter</i>, <i>26</i>, Article 253201. <a href="https://doi.org/10.1088/0953-8984/26/25/253201">https://doi.org/10.1088/0953-8984/26/25/253201</a>'
  bibtex: '@article{Landmann_Köhler_Rauls_Frauenheim_Schmidt_2014, title={The atomic
    structure of ternary amorphous TixSi1−xO2hybrid oxides}, volume={26}, DOI={<a
    href="https://doi.org/10.1088/0953-8984/26/25/253201">10.1088/0953-8984/26/25/253201</a>},
    number={253201}, journal={Journal of Physics: Condensed Matter}, author={Landmann,
    M and Köhler, T and Rauls, E and Frauenheim, T and Schmidt, Wolf Gero}, year={2014}
    }'
  chicago: 'Landmann, M, T Köhler, E Rauls, T Frauenheim, and Wolf Gero Schmidt. “The
    Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” <i>Journal of
    Physics: Condensed Matter</i> 26 (2014). <a href="https://doi.org/10.1088/0953-8984/26/25/253201">https://doi.org/10.1088/0953-8984/26/25/253201</a>.'
  ieee: 'M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The
    atomic structure of ternary amorphous TixSi1−xO2hybrid oxides,” <i>Journal of
    Physics: Condensed Matter</i>, vol. 26, Art. no. 253201, 2014, doi: <a href="https://doi.org/10.1088/0953-8984/26/25/253201">10.1088/0953-8984/26/25/253201</a>.'
  mla: 'Landmann, M., et al. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid
    Oxides.” <i>Journal of Physics: Condensed Matter</i>, vol. 26, 253201, 2014, doi:<a
    href="https://doi.org/10.1088/0953-8984/26/25/253201">10.1088/0953-8984/26/25/253201</a>.'
  short: 'M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, W.G. Schmidt, Journal of
    Physics: Condensed Matter 26 (2014).'
date_created: 2019-09-30T13:31:47Z
date_updated: 2025-12-05T10:34:00Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1088/0953-8984/26/25/253201
intvolume: '        26'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
  issn:
  - 0953-8984
  - 1361-648X
publication_status: published
status: public
title: The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides
type: journal_article
user_id: '16199'
volume: 26
year: '2014'
...
---
_id: '13513'
author:
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: N. J.
  full_name: Vollmers, N. J.
  last_name: Vollmers
- first_name: A.
  full_name: Lücke, A.
  last_name: Lücke
- first_name: M.
  full_name: Babilon, M.
  last_name: Babilon
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Gerstmann U, Vollmers NJ, Lücke A, Babilon M, Schmidt WG. Rashba splitting
    and relativistic energy shifts in In/Si(111) nanowires. <i>Physical Review B</i>.
    2014;89(16). doi:<a href="https://doi.org/10.1103/physrevb.89.165431">10.1103/physrevb.89.165431</a>
  apa: Gerstmann, U., Vollmers, N. J., Lücke, A., Babilon, M., &#38; Schmidt, W. G.
    (2014). Rashba splitting and relativistic energy shifts in In/Si(111) nanowires.
    <i>Physical Review B</i>, <i>89</i>(16). <a href="https://doi.org/10.1103/physrevb.89.165431">https://doi.org/10.1103/physrevb.89.165431</a>
  bibtex: '@article{Gerstmann_Vollmers_Lücke_Babilon_Schmidt_2014, title={Rashba splitting
    and relativistic energy shifts in In/Si(111) nanowires}, volume={89}, DOI={<a
    href="https://doi.org/10.1103/physrevb.89.165431">10.1103/physrevb.89.165431</a>},
    number={16}, journal={Physical Review B}, author={Gerstmann, Uwe and Vollmers,
    N. J. and Lücke, A. and Babilon, M. and Schmidt, Wolf Gero}, year={2014} }'
  chicago: Gerstmann, Uwe, N. J. Vollmers, A. Lücke, M. Babilon, and Wolf Gero Schmidt.
    “Rashba Splitting and Relativistic Energy Shifts in In/Si(111) Nanowires.” <i>Physical
    Review B</i> 89, no. 16 (2014). <a href="https://doi.org/10.1103/physrevb.89.165431">https://doi.org/10.1103/physrevb.89.165431</a>.
  ieee: 'U. Gerstmann, N. J. Vollmers, A. Lücke, M. Babilon, and W. G. Schmidt, “Rashba
    splitting and relativistic energy shifts in In/Si(111) nanowires,” <i>Physical
    Review B</i>, vol. 89, no. 16, 2014, doi: <a href="https://doi.org/10.1103/physrevb.89.165431">10.1103/physrevb.89.165431</a>.'
  mla: Gerstmann, Uwe, et al. “Rashba Splitting and Relativistic Energy Shifts in
    In/Si(111) Nanowires.” <i>Physical Review B</i>, vol. 89, no. 16, 2014, doi:<a
    href="https://doi.org/10.1103/physrevb.89.165431">10.1103/physrevb.89.165431</a>.
  short: U. Gerstmann, N.J. Vollmers, A. Lücke, M. Babilon, W.G. Schmidt, Physical
    Review B 89 (2014).
date_created: 2019-09-30T13:36:43Z
date_updated: 2025-12-05T10:33:07Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '790'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.89.165431
intvolume: '        89'
issue: '16'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Rashba splitting and relativistic energy shifts in In/Si(111) nanowires
type: journal_article
user_id: '16199'
volume: 89
year: '2014'
...
---
_id: '13516'
author:
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: S.
  full_name: Rode, S.
  last_name: Rode
- first_name: S.
  full_name: Klassen, S.
  last_name: Klassen
- first_name: A.
  full_name: Kühnle, A.
  last_name: Kühnle
citation:
  ama: Sanna S, Schmidt WG, Rode S, Klassen S, Kühnle A. Unraveling theLiNbO3X-cut
    surface by atomic force microscopy and density functional theory. <i>Physical
    Review B</i>. 2014;89(7). doi:<a href="https://doi.org/10.1103/physrevb.89.075403">10.1103/physrevb.89.075403</a>
  apa: Sanna, S., Schmidt, W. G., Rode, S., Klassen, S., &#38; Kühnle, A. (2014).
    Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional
    theory. <i>Physical Review B</i>, <i>89</i>(7). <a href="https://doi.org/10.1103/physrevb.89.075403">https://doi.org/10.1103/physrevb.89.075403</a>
  bibtex: '@article{Sanna_Schmidt_Rode_Klassen_Kühnle_2014, title={Unraveling theLiNbO3X-cut
    surface by atomic force microscopy and density functional theory}, volume={89},
    DOI={<a href="https://doi.org/10.1103/physrevb.89.075403">10.1103/physrevb.89.075403</a>},
    number={7}, journal={Physical Review B}, author={Sanna, S. and Schmidt, Wolf Gero
    and Rode, S. and Klassen, S. and Kühnle, A.}, year={2014} }'
  chicago: Sanna, S., Wolf Gero Schmidt, S. Rode, S. Klassen, and A. Kühnle. “Unraveling
    TheLiNbO3X-Cut Surface by Atomic Force Microscopy and Density Functional Theory.”
    <i>Physical Review B</i> 89, no. 7 (2014). <a href="https://doi.org/10.1103/physrevb.89.075403">https://doi.org/10.1103/physrevb.89.075403</a>.
  ieee: 'S. Sanna, W. G. Schmidt, S. Rode, S. Klassen, and A. Kühnle, “Unraveling
    theLiNbO3X-cut surface by atomic force microscopy and density functional theory,”
    <i>Physical Review B</i>, vol. 89, no. 7, 2014, doi: <a href="https://doi.org/10.1103/physrevb.89.075403">10.1103/physrevb.89.075403</a>.'
  mla: Sanna, S., et al. “Unraveling TheLiNbO3X-Cut Surface by Atomic Force Microscopy
    and Density Functional Theory.” <i>Physical Review B</i>, vol. 89, no. 7, 2014,
    doi:<a href="https://doi.org/10.1103/physrevb.89.075403">10.1103/physrevb.89.075403</a>.
  short: S. Sanna, W.G. Schmidt, S. Rode, S. Klassen, A. Kühnle, Physical Review B
    89 (2014).
date_created: 2019-09-30T13:42:07Z
date_updated: 2025-12-05T10:31:19Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.89.075403
intvolume: '        89'
issue: '7'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional
  theory
type: journal_article
user_id: '16199'
volume: 89
year: '2014'
...
---
_id: '13514'
author:
- first_name: Yanlu
  full_name: Li, Yanlu
  last_name: Li
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
citation:
  ama: Li Y, Schmidt WG, Sanna S. IntrinsicLiNbO3point defects from hybrid density
    functional calculations. <i>Physical Review B</i>. 2014;89(9). doi:<a href="https://doi.org/10.1103/physrevb.89.094111">10.1103/physrevb.89.094111</a>
  apa: Li, Y., Schmidt, W. G., &#38; Sanna, S. (2014). IntrinsicLiNbO3point defects
    from hybrid density functional calculations. <i>Physical Review B</i>, <i>89</i>(9).
    <a href="https://doi.org/10.1103/physrevb.89.094111">https://doi.org/10.1103/physrevb.89.094111</a>
  bibtex: '@article{Li_Schmidt_Sanna_2014, title={IntrinsicLiNbO3point defects from
    hybrid density functional calculations}, volume={89}, DOI={<a href="https://doi.org/10.1103/physrevb.89.094111">10.1103/physrevb.89.094111</a>},
    number={9}, journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero
    and Sanna, S.}, year={2014} }'
  chicago: Li, Yanlu, Wolf Gero Schmidt, and S. Sanna. “IntrinsicLiNbO3point Defects
    from Hybrid Density Functional Calculations.” <i>Physical Review B</i> 89, no.
    9 (2014). <a href="https://doi.org/10.1103/physrevb.89.094111">https://doi.org/10.1103/physrevb.89.094111</a>.
  ieee: 'Y. Li, W. G. Schmidt, and S. Sanna, “IntrinsicLiNbO3point defects from hybrid
    density functional calculations,” <i>Physical Review B</i>, vol. 89, no. 9, 2014,
    doi: <a href="https://doi.org/10.1103/physrevb.89.094111">10.1103/physrevb.89.094111</a>.'
  mla: Li, Yanlu, et al. “IntrinsicLiNbO3point Defects from Hybrid Density Functional
    Calculations.” <i>Physical Review B</i>, vol. 89, no. 9, 2014, doi:<a href="https://doi.org/10.1103/physrevb.89.094111">10.1103/physrevb.89.094111</a>.
  short: Y. Li, W.G. Schmidt, S. Sanna, Physical Review B 89 (2014).
date_created: 2019-09-30T13:38:01Z
date_updated: 2025-12-05T10:32:36Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '429'
doi: 10.1103/physrevb.89.094111
intvolume: '        89'
issue: '9'
language:
- iso: eng
project:
- _id: '53'
  name: TRR 142
- _id: '55'
  name: TRR 142 - Project Area B
- _id: '66'
  name: TRR 142 - Subproject B1
- _id: '69'
  name: TRR 142 - Subproject B4
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: IntrinsicLiNbO3point defects from hybrid density functional calculations
type: journal_article
user_id: '16199'
volume: 89
year: '2014'
...
---
_id: '13512'
author:
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Peter
  full_name: Thissen, Peter
  last_name: Thissen
citation:
  ama: 'Sanna S, Schmidt WG, Thissen P. Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate
    (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001). <i>The Journal of
    Physical Chemistry C</i>. 2014;118:8007-8013. doi:<a href="https://doi.org/10.1021/jp500170t">10.1021/jp500170t</a>'
  apa: 'Sanna, S., Schmidt, W. G., &#38; Thissen, P. (2014). Formation of Hydroxyl
    Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on
    Wollastonite(001). <i>The Journal of Physical Chemistry C</i>, <i>118</i>, 8007–8013.
    <a href="https://doi.org/10.1021/jp500170t">https://doi.org/10.1021/jp500170t</a>'
  bibtex: '@article{Sanna_Schmidt_Thissen_2014, title={Formation of Hydroxyl Groups
    at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)},
    volume={118}, DOI={<a href="https://doi.org/10.1021/jp500170t">10.1021/jp500170t</a>},
    journal={The Journal of Physical Chemistry C}, author={Sanna, Simone and Schmidt,
    Wolf Gero and Thissen, Peter}, year={2014}, pages={8007–8013} }'
  chicago: 'Sanna, Simone, Wolf Gero Schmidt, and Peter Thissen. “Formation of Hydroxyl
    Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on
    Wollastonite(001).” <i>The Journal of Physical Chemistry C</i> 118 (2014): 8007–13.
    <a href="https://doi.org/10.1021/jp500170t">https://doi.org/10.1021/jp500170t</a>.'
  ieee: 'S. Sanna, W. G. Schmidt, and P. Thissen, “Formation of Hydroxyl Groups at
    Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001),”
    <i>The Journal of Physical Chemistry C</i>, vol. 118, pp. 8007–8013, 2014, doi:
    <a href="https://doi.org/10.1021/jp500170t">10.1021/jp500170t</a>.'
  mla: 'Sanna, Simone, et al. “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate
    (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001).” <i>The Journal
    of Physical Chemistry C</i>, vol. 118, 2014, pp. 8007–13, doi:<a href="https://doi.org/10.1021/jp500170t">10.1021/jp500170t</a>.'
  short: S. Sanna, W.G. Schmidt, P. Thissen, The Journal of Physical Chemistry C 118
    (2014) 8007–8013.
date_created: 2019-09-30T13:35:25Z
date_updated: 2025-12-05T10:33:35Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '35'
- _id: '230'
doi: 10.1021/jp500170t
intvolume: '       118'
language:
- iso: eng
page: 8007-8013
publication: The Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
  - 1932-7455
publication_status: published
status: public
title: 'Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence
  of Ca–OH and Si–OH on Wollastonite(001)'
type: journal_article
user_id: '16199'
volume: 118
year: '2014'
...