---
_id: '13564'
author:
- first_name: L. S.
  full_name: dos Santos, L. S.
  last_name: dos Santos
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
citation:
  ama: dos Santos LS, Schmidt WG, Rauls E. Group-VII point defects in ZnSe. <i>Physical
    Review B</i>. 2011;84(11). doi:<a href="https://doi.org/10.1103/physrevb.84.115201">10.1103/physrevb.84.115201</a>
  apa: dos Santos, L. S., Schmidt, W. G., &#38; Rauls, E. (2011). Group-VII point
    defects in ZnSe. <i>Physical Review B</i>, <i>84</i>(11). <a href="https://doi.org/10.1103/physrevb.84.115201">https://doi.org/10.1103/physrevb.84.115201</a>
  bibtex: '@article{dos Santos_Schmidt_Rauls_2011, title={Group-VII point defects
    in ZnSe}, volume={84}, DOI={<a href="https://doi.org/10.1103/physrevb.84.115201">10.1103/physrevb.84.115201</a>},
    number={11}, journal={Physical Review B}, author={dos Santos, L. S. and Schmidt,
    Wolf Gero and Rauls, E.}, year={2011} }'
  chicago: Santos, L. S. dos, Wolf Gero Schmidt, and E. Rauls. “Group-VII Point Defects
    in ZnSe.” <i>Physical Review B</i> 84, no. 11 (2011). <a href="https://doi.org/10.1103/physrevb.84.115201">https://doi.org/10.1103/physrevb.84.115201</a>.
  ieee: 'L. S. dos Santos, W. G. Schmidt, and E. Rauls, “Group-VII point defects in
    ZnSe,” <i>Physical Review B</i>, vol. 84, no. 11, 2011, doi: <a href="https://doi.org/10.1103/physrevb.84.115201">10.1103/physrevb.84.115201</a>.'
  mla: dos Santos, L. S., et al. “Group-VII Point Defects in ZnSe.” <i>Physical Review
    B</i>, vol. 84, no. 11, 2011, doi:<a href="https://doi.org/10.1103/physrevb.84.115201">10.1103/physrevb.84.115201</a>.
  short: L.S. dos Santos, W.G. Schmidt, E. Rauls, Physical Review B 84 (2011).
date_created: 2019-10-01T09:03:18Z
date_updated: 2025-12-05T10:42:56Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.84.115201
intvolume: '        84'
issue: '11'
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: Group-VII point defects in ZnSe
type: journal_article
user_id: '16199'
volume: 84
year: '2011'
...
---
_id: '13825'
author:
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: C.
  full_name: Thierfelder, C.
  last_name: Thierfelder
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: T. P.
  full_name: Sinha, T. P.
  last_name: Sinha
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Sanna S, Thierfelder C, Wippermann S, Sinha TP, Schmidt WG. Barium titanate
    ground- and excited-state properties from first-principles calculations. <i>Physical
    Review B</i>. 2011;83(5). doi:<a href="https://doi.org/10.1103/physrevb.83.054112">10.1103/physrevb.83.054112</a>
  apa: Sanna, S., Thierfelder, C., Wippermann, S., Sinha, T. P., &#38; Schmidt, W.
    G. (2011). Barium titanate ground- and excited-state properties from first-principles
    calculations. <i>Physical Review B</i>, <i>83</i>(5). <a href="https://doi.org/10.1103/physrevb.83.054112">https://doi.org/10.1103/physrevb.83.054112</a>
  bibtex: '@article{Sanna_Thierfelder_Wippermann_Sinha_Schmidt_2011, title={Barium
    titanate ground- and excited-state properties from first-principles calculations},
    volume={83}, DOI={<a href="https://doi.org/10.1103/physrevb.83.054112">10.1103/physrevb.83.054112</a>},
    number={5}, journal={Physical Review B}, author={Sanna, S. and Thierfelder, C.
    and Wippermann, S. and Sinha, T. P. and Schmidt, Wolf Gero}, year={2011} }'
  chicago: Sanna, S., C. Thierfelder, S. Wippermann, T. P. Sinha, and Wolf Gero Schmidt.
    “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.”
    <i>Physical Review B</i> 83, no. 5 (2011). <a href="https://doi.org/10.1103/physrevb.83.054112">https://doi.org/10.1103/physrevb.83.054112</a>.
  ieee: 'S. Sanna, C. Thierfelder, S. Wippermann, T. P. Sinha, and W. G. Schmidt,
    “Barium titanate ground- and excited-state properties from first-principles calculations,”
    <i>Physical Review B</i>, vol. 83, no. 5, 2011, doi: <a href="https://doi.org/10.1103/physrevb.83.054112">10.1103/physrevb.83.054112</a>.'
  mla: Sanna, S., et al. “Barium Titanate Ground- and Excited-State Properties from
    First-Principles Calculations.” <i>Physical Review B</i>, vol. 83, no. 5, 2011,
    doi:<a href="https://doi.org/10.1103/physrevb.83.054112">10.1103/physrevb.83.054112</a>.
  short: S. Sanna, C. Thierfelder, S. Wippermann, T.P. Sinha, W.G. Schmidt, Physical
    Review B 83 (2011).
date_created: 2019-10-15T07:20:17Z
date_updated: 2025-12-16T07:41:16Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.83.054112
funded_apc: '1'
intvolume: '        83'
issue: '5'
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: Barium titanate ground- and excited-state properties from first-principles
  calculations
type: journal_article
user_id: '16199'
volume: 83
year: '2011'
...
---
_id: '13823'
author:
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: Gerhard
  full_name: Berth, Gerhard
  id: '53'
  last_name: Berth
- first_name: W.
  full_name: Hahn, W.
  last_name: Hahn
- first_name: A.
  full_name: Widhalm, A.
  last_name: Widhalm
- first_name: Artur
  full_name: Zrenner, Artur
  id: '606'
  last_name: Zrenner
  orcid: 0000-0002-5190-0944
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Sanna S, Berth G, Hahn W, Widhalm A, Zrenner A, Schmidt WG. Vibrational properties
    of the LiNbO3 z-surfaces. <i>IEEE Transactions on Ultrasonics, Ferroelectrics
    and Frequency Control</i>. 2011;58(9):1751-1756. doi:<a href="https://doi.org/10.1109/tuffc.2011.2012">10.1109/tuffc.2011.2012</a>
  apa: Sanna, S., Berth, G., Hahn, W., Widhalm, A., Zrenner, A., &#38; Schmidt, W.
    G. (2011). Vibrational properties of the LiNbO3 z-surfaces. <i>IEEE Transactions
    on Ultrasonics, Ferroelectrics and Frequency Control</i>, <i>58</i>(9), 1751–1756.
    <a href="https://doi.org/10.1109/tuffc.2011.2012">https://doi.org/10.1109/tuffc.2011.2012</a>
  bibtex: '@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Vibrational
    properties of the LiNbO3 z-surfaces}, volume={58}, DOI={<a href="https://doi.org/10.1109/tuffc.2011.2012">10.1109/tuffc.2011.2012</a>},
    number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency
    Control}, author={Sanna, S. and Berth, Gerhard and Hahn, W. and Widhalm, A. and
    Zrenner, Artur and Schmidt, Wolf Gero}, year={2011}, pages={1751–1756} }'
  chicago: 'Sanna, S., Gerhard Berth, W. Hahn, A. Widhalm, Artur Zrenner, and Wolf
    Gero Schmidt. “Vibrational Properties of the LiNbO3 Z-Surfaces.” <i>IEEE Transactions
    on Ultrasonics, Ferroelectrics and Frequency Control</i> 58, no. 9 (2011): 1751–56.
    <a href="https://doi.org/10.1109/tuffc.2011.2012">https://doi.org/10.1109/tuffc.2011.2012</a>.'
  ieee: 'S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and W. G. Schmidt, “Vibrational
    properties of the LiNbO3 z-surfaces,” <i>IEEE Transactions on Ultrasonics, Ferroelectrics
    and Frequency Control</i>, vol. 58, no. 9, pp. 1751–1756, 2011, doi: <a href="https://doi.org/10.1109/tuffc.2011.2012">10.1109/tuffc.2011.2012</a>.'
  mla: Sanna, S., et al. “Vibrational Properties of the LiNbO3 Z-Surfaces.” <i>IEEE
    Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i>, vol. 58,
    no. 9, 2011, pp. 1751–56, doi:<a href="https://doi.org/10.1109/tuffc.2011.2012">10.1109/tuffc.2011.2012</a>.
  short: S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, W.G. Schmidt, IEEE Transactions
    on Ultrasonics, Ferroelectrics and Frequency Control 58 (2011) 1751–1756.
date_created: 2019-10-15T07:12:33Z
date_updated: 2025-12-16T07:51:55Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '290'
- _id: '230'
- _id: '27'
doi: 10.1109/tuffc.2011.2012
funded_apc: '1'
intvolume: '        58'
issue: '9'
language:
- iso: eng
page: 1751-1756
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control
publication_identifier:
  issn:
  - 0885-3010
publication_status: published
status: public
title: Vibrational properties of the LiNbO3 z-surfaces
type: journal_article
user_id: '16199'
volume: 58
year: '2011'
...
---
_id: '4543'
abstract:
- lang: eng
  text: The vibrational properties of the LiNbO3 (0001) surfaces have been investigated
    both from first principles and with Raman spectroscopy measurements. Firstly,
    the phonon modes of bulk and of the (0001) surface are calculated by means of
    the density functional theory. Our calculations reveal the existence of localised
    vibrational modes both at the positive and at the negative surface. The surface
    vibrations are found at energies above and within the bulk bands. Phonon modes
    localised at the positive and at the negative surface differ substantially. In
    a second step, the Raman spectra of LiNbO3 bulk and of the two surfaces have been
    measured. Raman spectroscopy is shown to be sensitive to differences between bulk
    and surface and between positive and negative surface. The calculated and measured
    frequencies are in agreement within the error of the method.
article_type: original
author:
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: Gerhard
  full_name: Berth, Gerhard
  id: '53'
  last_name: Berth
- first_name: W.
  full_name: Hahn, W.
  last_name: Hahn
- first_name: A.
  full_name: Widhalm, A.
  last_name: Widhalm
- first_name: Artur
  full_name: Zrenner, Artur
  id: '606'
  last_name: Zrenner
  orcid: 0000-0002-5190-0944
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Sanna S, Berth G, Hahn W, Widhalm A, Zrenner A, Schmidt WG. Localised Phonon
    Modes at LiNbO3(0001) Surfaces. <i>Ferroelectrics</i>. 2011;419(1):1-8. doi:<a
    href="https://doi.org/10.1080/00150193.2011.594396">10.1080/00150193.2011.594396</a>
  apa: Sanna, S., Berth, G., Hahn, W., Widhalm, A., Zrenner, A., &#38; Schmidt, W.
    G. (2011). Localised Phonon Modes at LiNbO3(0001) Surfaces. <i>Ferroelectrics</i>,
    <i>419</i>(1), 1–8. <a href="https://doi.org/10.1080/00150193.2011.594396">https://doi.org/10.1080/00150193.2011.594396</a>
  bibtex: '@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Localised
    Phonon Modes at LiNbO3(0001) Surfaces}, volume={419}, DOI={<a href="https://doi.org/10.1080/00150193.2011.594396">10.1080/00150193.2011.594396</a>},
    number={1}, journal={Ferroelectrics}, publisher={Informa UK Limited}, author={Sanna,
    S. and Berth, Gerhard and Hahn, W. and Widhalm, A. and Zrenner, Artur and Schmidt,
    Wolf Gero}, year={2011}, pages={1–8} }'
  chicago: 'Sanna, S., Gerhard Berth, W. Hahn, A. Widhalm, Artur Zrenner, and Wolf
    Gero Schmidt. “Localised Phonon Modes at LiNbO3(0001) Surfaces.” <i>Ferroelectrics</i>
    419, no. 1 (2011): 1–8. <a href="https://doi.org/10.1080/00150193.2011.594396">https://doi.org/10.1080/00150193.2011.594396</a>.'
  ieee: 'S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and W. G. Schmidt, “Localised
    Phonon Modes at LiNbO3(0001) Surfaces,” <i>Ferroelectrics</i>, vol. 419, no. 1,
    pp. 1–8, 2011, doi: <a href="https://doi.org/10.1080/00150193.2011.594396">10.1080/00150193.2011.594396</a>.'
  mla: Sanna, S., et al. “Localised Phonon Modes at LiNbO3(0001) Surfaces.” <i>Ferroelectrics</i>,
    vol. 419, no. 1, Informa UK Limited, 2011, pp. 1–8, doi:<a href="https://doi.org/10.1080/00150193.2011.594396">10.1080/00150193.2011.594396</a>.
  short: S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, W.G. Schmidt, Ferroelectrics
    419 (2011) 1–8.
date_created: 2018-09-20T11:26:53Z
date_updated: 2025-12-16T11:29:20Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '27'
doi: 10.1080/00150193.2011.594396
intvolume: '       419'
issue: '1'
language:
- iso: eng
page: 1-8
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Ferroelectrics
publication_identifier:
  issn:
  - 0015-0193
  - 1563-5112
publication_status: published
publisher: Informa UK Limited
status: public
title: Localised Phonon Modes at LiNbO3(0001) Surfaces
type: journal_article
user_id: '16199'
volume: 419
year: '2011'
...
---
_id: '13581'
author:
- 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: F.
  full_name: Bechstedt, F.
  last_name: Bechstedt
- first_name: S.
  full_name: Chandola, S.
  last_name: Chandola
- first_name: K.
  full_name: Hinrichs, K.
  last_name: Hinrichs
- first_name: M.
  full_name: Gensch, M.
  last_name: Gensch
- first_name: N.
  full_name: Esser, N.
  last_name: Esser
- first_name: K.
  full_name: Fleischer, K.
  last_name: Fleischer
- first_name: J. F.
  full_name: McGilp, J. F.
  last_name: McGilp
citation:
  ama: Wippermann S, Schmidt WG, Bechstedt F, et al. Optical anisotropy of Si(111)-(4
    × 1)/(8 × 2)-In nanowires calculated fromfirst-principles. <i>physica status solidi
    (c)</i>. 2010;7(2):133-136. doi:<a href="https://doi.org/10.1002/pssc.200982413">10.1002/pssc.200982413</a>
  apa: Wippermann, S., Schmidt, W. G., Bechstedt, F., Chandola, S., Hinrichs, K.,
    Gensch, M., Esser, N., Fleischer, K., &#38; McGilp, J. F. (2010). Optical anisotropy
    of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles. <i>Physica
    Status Solidi (c)</i>, <i>7</i>(2), 133–136. <a href="https://doi.org/10.1002/pssc.200982413">https://doi.org/10.1002/pssc.200982413</a>
  bibtex: '@article{Wippermann_Schmidt_Bechstedt_Chandola_Hinrichs_Gensch_Esser_Fleischer_McGilp_2010,
    title={Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles},
    volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200982413">10.1002/pssc.200982413</a>},
    number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt,
    Wolf Gero and Bechstedt, F. and Chandola, S. and Hinrichs, K. and Gensch, M. and
    Esser, N. and Fleischer, K. and McGilp, J. F.}, year={2010}, pages={133–136} }'
  chicago: 'Wippermann, S., Wolf Gero Schmidt, F. Bechstedt, S. Chandola, K. Hinrichs,
    M. Gensch, N. Esser, K. Fleischer, and J. F. McGilp. “Optical Anisotropy of Si(111)-(4
    × 1)/(8 × 2)-In Nanowires Calculated Fromfirst-Principles.” <i>Physica Status
    Solidi (c)</i> 7, no. 2 (2010): 133–36. <a href="https://doi.org/10.1002/pssc.200982413">https://doi.org/10.1002/pssc.200982413</a>.'
  ieee: 'S. Wippermann <i>et al.</i>, “Optical anisotropy of Si(111)-(4 × 1)/(8 ×
    2)-In nanowires calculated fromfirst-principles,” <i>physica status solidi (c)</i>,
    vol. 7, no. 2, pp. 133–136, 2010, doi: <a href="https://doi.org/10.1002/pssc.200982413">10.1002/pssc.200982413</a>.'
  mla: Wippermann, S., et al. “Optical Anisotropy of Si(111)-(4 × 1)/(8 × 2)-In Nanowires
    Calculated Fromfirst-Principles.” <i>Physica Status Solidi (c)</i>, vol. 7, no.
    2, 2010, pp. 133–36, doi:<a href="https://doi.org/10.1002/pssc.200982413">10.1002/pssc.200982413</a>.
  short: S. Wippermann, W.G. Schmidt, F. Bechstedt, S. Chandola, K. Hinrichs, M. Gensch,
    N. Esser, K. Fleischer, J.F. McGilp, Physica Status Solidi (c) 7 (2010) 133–136.
date_created: 2019-10-01T14:34:59Z
date_updated: 2025-12-05T12:45:21Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.200982413
intvolume: '         7'
issue: '2'
language:
- iso: eng
page: 133-136
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles
type: journal_article
user_id: '16199'
volume: 7
year: '2010'
...
---
_id: '13573'
abstract:
- lang: eng
  text: Given the vast range of lithium niobate (LiNbO3) applications, the knowledge
    about its electronic and optical properties is surprisingly limited. The direct
    band gap of 3.7 eV for the ferroelectric phase – frequently cited in the literature
    – is concluded from optical experiments. Recent theoretical investigations show
    that the electronic band‐structure and optical properties are very sensitive to
    quasiparticle and electron‐hole attraction effects, which were included using
    the GW approximation for the electron self‐energy and the Bethe‐Salpeter equation
    respectively, both based on a model screening function. The calculated fundamental
    gap was found to be at least 1 eV larger than the experimental value. To resolve
    this discrepancy we performed first‐principles GW calculations for lithium niobate
    using the full‐potential linearized augmented plane‐wave (FLAPW) method. Thereby
    we use the parameter‐free random phase approximation for a realistic description
    of the nonlocal and energydependent screening. This leads to a band gap of about
    4.7 (4.2) eV for ferro(para)‐electric lithium niobate.
article_type: original
author:
- first_name: Christian
  full_name: Thierfelder, Christian
  last_name: Thierfelder
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Arno
  full_name: Schindlmayr, Arno
  id: '458'
  last_name: Schindlmayr
  orcid: 0000-0002-4855-071X
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Thierfelder C, Sanna S, Schindlmayr A, Schmidt WG. Do we know the band gap
    of lithium niobate? <i>Physica Status Solidi C</i>. 2010;7(2):362-365. doi:<a
    href="https://doi.org/10.1002/pssc.200982473">10.1002/pssc.200982473</a>
  apa: Thierfelder, C., Sanna, S., Schindlmayr, A., &#38; Schmidt, W. G. (2010). Do
    we know the band gap of lithium niobate? <i>Physica Status Solidi C</i>, <i>7</i>(2),
    362–365. <a href="https://doi.org/10.1002/pssc.200982473">https://doi.org/10.1002/pssc.200982473</a>
  bibtex: '@article{Thierfelder_Sanna_Schindlmayr_Schmidt_2010, title={Do we know
    the band gap of lithium niobate?}, volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200982473">10.1002/pssc.200982473</a>},
    number={2}, journal={Physica Status Solidi C}, publisher={Wiley-VCH}, author={Thierfelder,
    Christian and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2010},
    pages={362–365} }'
  chicago: 'Thierfelder, Christian, Simone Sanna, Arno Schindlmayr, and Wolf Gero
    Schmidt. “Do We Know the Band Gap of Lithium Niobate?” <i>Physica Status Solidi
    C</i> 7, no. 2 (2010): 362–65. <a href="https://doi.org/10.1002/pssc.200982473">https://doi.org/10.1002/pssc.200982473</a>.'
  ieee: 'C. Thierfelder, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Do we know
    the band gap of lithium niobate?,” <i>Physica Status Solidi C</i>, vol. 7, no.
    2, pp. 362–365, 2010, doi: <a href="https://doi.org/10.1002/pssc.200982473">10.1002/pssc.200982473</a>.'
  mla: Thierfelder, Christian, et al. “Do We Know the Band Gap of Lithium Niobate?”
    <i>Physica Status Solidi C</i>, vol. 7, no. 2, Wiley-VCH, 2010, pp. 362–65, doi:<a
    href="https://doi.org/10.1002/pssc.200982473">10.1002/pssc.200982473</a>.
  short: C. Thierfelder, S. Sanna, A. Schindlmayr, W.G. Schmidt, Physica Status Solidi
    C 7 (2010) 362–365.
conference:
  end_date: 2009-07-10
  location: Weimar
  name: 12th International Conference on the Formation of Semiconductor Interfaces
  start_date: 2009-07-05
date_created: 2019-10-01T09:18:29Z
date_updated: 2025-12-05T13:01:45Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '15'
- _id: '35'
- _id: '230'
- _id: '27'
- _id: '170'
doi: 10.1002/pssc.200982473
external_id:
  isi:
  - '000284313000057'
file:
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  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-28T14:39:40Z
  date_updated: 2020-08-30T15:07:56Z
  description: © 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
  file_id: '18583'
  file_name: pssc.200982473.pdf
  file_size: 212674
  relation: main_file
  title: Do we know the band gap of lithium niobate?
file_date_updated: 2020-08-30T15:07:56Z
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project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physica Status Solidi C
publication_identifier:
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  issn:
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publication_status: published
publisher: Wiley-VCH
quality_controlled: '1'
status: public
title: Do we know the band gap of lithium niobate?
type: journal_article
user_id: '16199'
volume: 7
year: '2010'
...
---
_id: '13574'
author:
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: M.
  full_name: Rohrmüller, M.
  last_name: Rohrmüller
- first_name: F.
  full_name: Mauri, F.
  last_name: Mauri
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Gerstmann U, Rohrmüller M, Mauri F, Schmidt WG. Ab initiog-tensor calculation
    for paramagnetic surface states: hydrogen adsorption at Si surfaces. <i>physica
    status solidi (c)</i>. 2010;7(2):157-160. doi:<a href="https://doi.org/10.1002/pssc.200982462">10.1002/pssc.200982462</a>'
  apa: 'Gerstmann, U., Rohrmüller, M., Mauri, F., &#38; Schmidt, W. G. (2010). Ab
    initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption
    at Si surfaces. <i>Physica Status Solidi (c)</i>, <i>7</i>(2), 157–160. <a href="https://doi.org/10.1002/pssc.200982462">https://doi.org/10.1002/pssc.200982462</a>'
  bibtex: '@article{Gerstmann_Rohrmüller_Mauri_Schmidt_2010, title={Ab initiog-tensor
    calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces},
    volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200982462">10.1002/pssc.200982462</a>},
    number={2}, journal={physica status solidi (c)}, author={Gerstmann, Uwe and Rohrmüller,
    M. and Mauri, F. and Schmidt, Wolf Gero}, year={2010}, pages={157–160} }'
  chicago: 'Gerstmann, Uwe, M. Rohrmüller, F. Mauri, and Wolf Gero Schmidt. “Ab Initiog-Tensor
    Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.”
    <i>Physica Status Solidi (c)</i> 7, no. 2 (2010): 157–60. <a href="https://doi.org/10.1002/pssc.200982462">https://doi.org/10.1002/pssc.200982462</a>.'
  ieee: 'U. Gerstmann, M. Rohrmüller, F. Mauri, and W. G. Schmidt, “Ab initiog-tensor
    calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces,”
    <i>physica status solidi (c)</i>, vol. 7, no. 2, pp. 157–160, 2010, doi: <a href="https://doi.org/10.1002/pssc.200982462">10.1002/pssc.200982462</a>.'
  mla: 'Gerstmann, Uwe, et al. “Ab Initiog-Tensor Calculation for Paramagnetic Surface
    States: Hydrogen Adsorption at Si Surfaces.” <i>Physica Status Solidi (c)</i>,
    vol. 7, no. 2, 2010, pp. 157–60, doi:<a href="https://doi.org/10.1002/pssc.200982462">10.1002/pssc.200982462</a>.'
  short: U. Gerstmann, M. Rohrmüller, F. Mauri, W.G. Schmidt, Physica Status Solidi
    (c) 7 (2010) 157–160.
date_created: 2019-10-01T09:20:03Z
date_updated: 2025-12-05T12:45:54Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '790'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.200982462
intvolume: '         7'
issue: '2'
language:
- iso: eng
page: 157-160
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: 'Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption
  at Si surfaces'
type: journal_article
user_id: '16199'
volume: 7
year: '2010'
...
---
_id: '13839'
author:
- first_name: S.
  full_name: Blankenburg, S.
  last_name: Blankenburg
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Blankenburg S, Schmidt WG. Temperature dependent stability of self-assembled
    molecular rows. <i>physica status solidi (c)</i>. 2010;7(2):415-417. doi:<a href="https://doi.org/10.1002/pssc.200982460">10.1002/pssc.200982460</a>
  apa: Blankenburg, S., &#38; Schmidt, W. G. (2010). Temperature dependent stability
    of self-assembled molecular rows. <i>Physica Status Solidi (c)</i>, <i>7</i>(2),
    415–417. <a href="https://doi.org/10.1002/pssc.200982460">https://doi.org/10.1002/pssc.200982460</a>
  bibtex: '@article{Blankenburg_Schmidt_2010, title={Temperature dependent stability
    of self-assembled molecular rows}, volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200982460">10.1002/pssc.200982460</a>},
    number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Schmidt,
    Wolf Gero}, year={2010}, pages={415–417} }'
  chicago: 'Blankenburg, S., and Wolf Gero Schmidt. “Temperature Dependent Stability
    of Self-Assembled Molecular Rows.” <i>Physica Status Solidi (c)</i> 7, no. 2 (2010):
    415–17. <a href="https://doi.org/10.1002/pssc.200982460">https://doi.org/10.1002/pssc.200982460</a>.'
  ieee: 'S. Blankenburg and W. G. Schmidt, “Temperature dependent stability of self-assembled
    molecular rows,” <i>physica status solidi (c)</i>, vol. 7, no. 2, pp. 415–417,
    2010, doi: <a href="https://doi.org/10.1002/pssc.200982460">10.1002/pssc.200982460</a>.'
  mla: Blankenburg, S., and Wolf Gero Schmidt. “Temperature Dependent Stability of
    Self-Assembled Molecular Rows.” <i>Physica Status Solidi (c)</i>, vol. 7, no.
    2, 2010, pp. 415–17, doi:<a href="https://doi.org/10.1002/pssc.200982460">10.1002/pssc.200982460</a>.
  short: S. Blankenburg, W.G. Schmidt, Physica Status Solidi (c) 7 (2010) 415–417.
date_created: 2019-10-15T07:47:46Z
date_updated: 2025-12-16T07:36:06Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.200982460
funded_apc: '1'
intvolume: '         7'
issue: '2'
language:
- iso: eng
page: 415-417
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: Temperature dependent stability of self-assembled molecular rows
type: journal_article
user_id: '16199'
volume: 7
year: '2010'
...
---
_id: '13838'
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
citation:
  ama: Sanna S, Schmidt WG. GaN growth on LiNbO3 (0001) - a first-principles simulation.
    <i>physica status solidi (c)</i>. 2010;7(7-8):2272-2274. doi:<a href="https://doi.org/10.1002/pssc.200983649">10.1002/pssc.200983649</a>
  apa: Sanna, S., &#38; Schmidt, W. G. (2010). GaN growth on LiNbO3 (0001) - a first-principles
    simulation. <i>Physica Status Solidi (c)</i>, <i>7</i>(7–8), 2272–2274. <a href="https://doi.org/10.1002/pssc.200983649">https://doi.org/10.1002/pssc.200983649</a>
  bibtex: '@article{Sanna_Schmidt_2010, title={GaN growth on LiNbO3 (0001) - a first-principles
    simulation}, volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200983649">10.1002/pssc.200983649</a>},
    number={7–8}, journal={physica status solidi (c)}, author={Sanna, Simone and Schmidt,
    Wolf Gero}, year={2010}, pages={2272–2274} }'
  chicago: 'Sanna, Simone, and Wolf Gero Schmidt. “GaN Growth on LiNbO3 (0001) - a
    First-Principles Simulation.” <i>Physica Status Solidi (c)</i> 7, no. 7–8 (2010):
    2272–74. <a href="https://doi.org/10.1002/pssc.200983649">https://doi.org/10.1002/pssc.200983649</a>.'
  ieee: 'S. Sanna and W. G. Schmidt, “GaN growth on LiNbO3 (0001) - a first-principles
    simulation,” <i>physica status solidi (c)</i>, vol. 7, no. 7–8, pp. 2272–2274,
    2010, doi: <a href="https://doi.org/10.1002/pssc.200983649">10.1002/pssc.200983649</a>.'
  mla: Sanna, Simone, and Wolf Gero Schmidt. “GaN Growth on LiNbO3 (0001) - a First-Principles
    Simulation.” <i>Physica Status Solidi (c)</i>, vol. 7, no. 7–8, 2010, pp. 2272–74,
    doi:<a href="https://doi.org/10.1002/pssc.200983649">10.1002/pssc.200983649</a>.
  short: S. Sanna, W.G. Schmidt, Physica Status Solidi (c) 7 (2010) 2272–2274.
date_created: 2019-10-15T07:46:44Z
date_updated: 2025-12-16T07:36:34Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.200983649
funded_apc: '1'
intvolume: '         7'
issue: 7-8
language:
- iso: eng
page: 2272-2274
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: GaN growth on LiNbO3 (0001) - a first-principles simulation
type: journal_article
user_id: '16199'
volume: 7
year: '2010'
...
---
_id: '13843'
author:
- 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: P.
  full_name: Thissen, P.
  last_name: Thissen
- first_name: Guido
  full_name: Grundmeier, Guido
  id: '194'
  last_name: Grundmeier
citation:
  ama: Wippermann S, Schmidt WG, Thissen P, Grundmeier G. Dissociative and molecular
    adsorption of water onα-Al2O3(0001). <i>physica status solidi (c)</i>. 2010;7(2):137-140.
    doi:<a href="https://doi.org/10.1002/pssc.200982423">10.1002/pssc.200982423</a>
  apa: Wippermann, S., Schmidt, W. G., Thissen, P., &#38; Grundmeier, G. (2010). Dissociative
    and molecular adsorption of water onα-Al2O3(0001). <i>Physica Status Solidi (c)</i>,
    <i>7</i>(2), 137–140. <a href="https://doi.org/10.1002/pssc.200982423">https://doi.org/10.1002/pssc.200982423</a>
  bibtex: '@article{Wippermann_Schmidt_Thissen_Grundmeier_2010, title={Dissociative
    and molecular adsorption of water onα-Al2O3(0001)}, volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200982423">10.1002/pssc.200982423</a>},
    number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt,
    Wolf Gero and Thissen, P. and Grundmeier, Guido}, year={2010}, pages={137–140}
    }'
  chicago: 'Wippermann, S., Wolf Gero Schmidt, P. Thissen, and Guido Grundmeier. “Dissociative
    and Molecular Adsorption of Water Onα-Al2O3(0001).” <i>Physica Status Solidi (c)</i>
    7, no. 2 (2010): 137–40. <a href="https://doi.org/10.1002/pssc.200982423">https://doi.org/10.1002/pssc.200982423</a>.'
  ieee: 'S. Wippermann, W. G. Schmidt, P. Thissen, and G. Grundmeier, “Dissociative
    and molecular adsorption of water onα-Al2O3(0001),” <i>physica status solidi (c)</i>,
    vol. 7, no. 2, pp. 137–140, 2010, doi: <a href="https://doi.org/10.1002/pssc.200982423">10.1002/pssc.200982423</a>.'
  mla: Wippermann, S., et al. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).”
    <i>Physica Status Solidi (c)</i>, vol. 7, no. 2, 2010, pp. 137–40, doi:<a href="https://doi.org/10.1002/pssc.200982423">10.1002/pssc.200982423</a>.
  short: S. Wippermann, W.G. Schmidt, P. Thissen, G. Grundmeier, Physica Status Solidi
    (c) 7 (2010) 137–140.
date_created: 2019-10-15T07:55:59Z
date_updated: 2025-12-16T07:43:16Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '302'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.200982423
funded_apc: '1'
intvolume: '         7'
issue: '2'
language:
- iso: eng
page: 137-140
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: Dissociative and molecular adsorption of water onα-Al2O3(0001)
type: journal_article
user_id: '16199'
volume: 7
year: '2010'
...
---
_id: '13836'
author:
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: S.
  full_name: Blankenburg, S.
  last_name: Blankenburg
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Rauls E, Blankenburg S, Schmidt WG. Chemical reactivity on surfaces: Modeling
    the imide synthesis from DATP and PTCDA on Au(111). <i>Physical Review B</i>.
    2010;81(12). doi:<a href="https://doi.org/10.1103/physrevb.81.125401">10.1103/physrevb.81.125401</a>'
  apa: 'Rauls, E., Blankenburg, S., &#38; Schmidt, W. G. (2010). Chemical reactivity
    on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111). <i>Physical
    Review B</i>, <i>81</i>(12). <a href="https://doi.org/10.1103/physrevb.81.125401">https://doi.org/10.1103/physrevb.81.125401</a>'
  bibtex: '@article{Rauls_Blankenburg_Schmidt_2010, title={Chemical reactivity on
    surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111)}, volume={81},
    DOI={<a href="https://doi.org/10.1103/physrevb.81.125401">10.1103/physrevb.81.125401</a>},
    number={12}, journal={Physical Review B}, author={Rauls, E. and Blankenburg, S.
    and Schmidt, Wolf Gero}, year={2010} }'
  chicago: 'Rauls, E., S. Blankenburg, and Wolf Gero Schmidt. “Chemical Reactivity
    on Surfaces: Modeling the Imide Synthesis from DATP and PTCDA on Au(111).” <i>Physical
    Review B</i> 81, no. 12 (2010). <a href="https://doi.org/10.1103/physrevb.81.125401">https://doi.org/10.1103/physrevb.81.125401</a>.'
  ieee: 'E. Rauls, S. Blankenburg, and W. G. Schmidt, “Chemical reactivity on surfaces:
    Modeling the imide synthesis from DATP and PTCDA on Au(111),” <i>Physical Review
    B</i>, vol. 81, no. 12, 2010, doi: <a href="https://doi.org/10.1103/physrevb.81.125401">10.1103/physrevb.81.125401</a>.'
  mla: 'Rauls, E., et al. “Chemical Reactivity on Surfaces: Modeling the Imide Synthesis
    from DATP and PTCDA on Au(111).” <i>Physical Review B</i>, vol. 81, no. 12, 2010,
    doi:<a href="https://doi.org/10.1103/physrevb.81.125401">10.1103/physrevb.81.125401</a>.'
  short: E. Rauls, S. Blankenburg, W.G. Schmidt, Physical Review B 81 (2010).
date_created: 2019-10-15T07:43:20Z
date_updated: 2025-12-16T07:46:10Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.81.125401
funded_apc: '1'
intvolume: '        81'
issue: '12'
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: 'Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and
  PTCDA on Au(111)'
type: journal_article
user_id: '16199'
volume: 81
year: '2010'
...
---
_id: '13842'
author:
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Alexander V.
  full_name: Gavrilenko, Alexander V.
  last_name: Gavrilenko
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Sanna S, Gavrilenko AV, Schmidt WG. Ab initio investigation of the LiNbO3(0001)
    surface. <i>physica status solidi (c)</i>. 2010;7(2):145-148. doi:<a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>
  apa: Sanna, S., Gavrilenko, A. V., &#38; Schmidt, W. G. (2010). Ab initio investigation
    of the LiNbO3(0001) surface. <i>Physica Status Solidi (c)</i>, <i>7</i>(2), 145–148.
    <a href="https://doi.org/10.1002/pssc.200982456">https://doi.org/10.1002/pssc.200982456</a>
  bibtex: '@article{Sanna_Gavrilenko_Schmidt_2010, title={Ab initio investigation
    of the LiNbO3(0001) surface}, volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>},
    number={2}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko,
    Alexander V. and Schmidt, Wolf Gero}, year={2010}, pages={145–148} }'
  chicago: 'Sanna, Simone, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Ab Initio
    Investigation of the LiNbO3(0001) Surface.” <i>Physica Status Solidi (c)</i> 7,
    no. 2 (2010): 145–48. <a href="https://doi.org/10.1002/pssc.200982456">https://doi.org/10.1002/pssc.200982456</a>.'
  ieee: 'S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Ab initio investigation of
    the LiNbO3(0001) surface,” <i>physica status solidi (c)</i>, vol. 7, no. 2, pp.
    145–148, 2010, doi: <a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>.'
  mla: Sanna, Simone, et al. “Ab Initio Investigation of the LiNbO3(0001) Surface.”
    <i>Physica Status Solidi (c)</i>, vol. 7, no. 2, 2010, pp. 145–48, doi:<a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>.
  short: S. Sanna, A.V. Gavrilenko, W.G. Schmidt, Physica Status Solidi (c) 7 (2010)
    145–148.
date_created: 2019-10-15T07:51:08Z
date_updated: 2025-12-16T07:43:40Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.200982456
funded_apc: '1'
intvolume: '         7'
issue: '2'
language:
- iso: eng
page: 145-148
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: Ab initio investigation of the LiNbO3(0001) surface
type: journal_article
user_id: '16199'
volume: 7
year: '2010'
...
---
_id: '13841'
author:
- first_name: S.
  full_name: Blankenburg, S.
  last_name: Blankenburg
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Blankenburg S, Rauls E, Schmidt WG. The physics of highly ordered molecular
    rows. <i>physica status solidi (c)</i>. 2010;7(2):153-156. doi:<a href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>
  apa: Blankenburg, S., Rauls, E., &#38; Schmidt, W. G. (2010). The physics of highly
    ordered molecular rows. <i>Physica Status Solidi (c)</i>, <i>7</i>(2), 153–156.
    <a href="https://doi.org/10.1002/pssc.200982459">https://doi.org/10.1002/pssc.200982459</a>
  bibtex: '@article{Blankenburg_Rauls_Schmidt_2010, title={The physics of highly ordered
    molecular rows}, volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>},
    number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls,
    E. and Schmidt, Wolf Gero}, year={2010}, pages={153–156} }'
  chicago: 'Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “The Physics of Highly
    Ordered Molecular Rows.” <i>Physica Status Solidi (c)</i> 7, no. 2 (2010): 153–56.
    <a href="https://doi.org/10.1002/pssc.200982459">https://doi.org/10.1002/pssc.200982459</a>.'
  ieee: 'S. Blankenburg, E. Rauls, and W. G. Schmidt, “The physics of highly ordered
    molecular rows,” <i>physica status solidi (c)</i>, vol. 7, no. 2, pp. 153–156,
    2010, doi: <a href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>.'
  mla: Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” <i>Physica
    Status Solidi (c)</i>, vol. 7, no. 2, 2010, pp. 153–56, doi:<a href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>.
  short: S. Blankenburg, E. Rauls, W.G. Schmidt, Physica Status Solidi (c) 7 (2010)
    153–156.
date_created: 2019-10-15T07:49:59Z
date_updated: 2025-12-16T07:44:07Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.200982459
funded_apc: '1'
intvolume: '         7'
issue: '2'
language:
- iso: eng
page: 153-156
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: The physics of highly ordered molecular rows
type: journal_article
user_id: '16199'
volume: 7
year: '2010'
...
---
_id: '13832'
author:
- first_name: C.
  full_name: Thierfelder, C.
  last_name: Thierfelder
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Thierfelder C, Schmidt WG. First-principles study of water adsorption and a
    high-density interfacial ice structure on(1×1)-O/Rh(111). <i>Physical Review B</i>.
    2010;82(11). doi:<a href="https://doi.org/10.1103/physrevb.82.115402">10.1103/physrevb.82.115402</a>
  apa: Thierfelder, C., &#38; Schmidt, W. G. (2010). First-principles study of water
    adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111). <i>Physical
    Review B</i>, <i>82</i>(11). <a href="https://doi.org/10.1103/physrevb.82.115402">https://doi.org/10.1103/physrevb.82.115402</a>
  bibtex: '@article{Thierfelder_Schmidt_2010, title={First-principles study of water
    adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111)}, volume={82},
    DOI={<a href="https://doi.org/10.1103/physrevb.82.115402">10.1103/physrevb.82.115402</a>},
    number={11}, journal={Physical Review B}, author={Thierfelder, C. and Schmidt,
    Wolf Gero}, year={2010} }'
  chicago: Thierfelder, C., and Wolf Gero Schmidt. “First-Principles Study of Water
    Adsorption and a High-Density Interfacial Ice Structure on(1×1)-O/Rh(111).” <i>Physical
    Review B</i> 82, no. 11 (2010). <a href="https://doi.org/10.1103/physrevb.82.115402">https://doi.org/10.1103/physrevb.82.115402</a>.
  ieee: 'C. Thierfelder and W. G. Schmidt, “First-principles study of water adsorption
    and a high-density interfacial ice structure on(1×1)-O/Rh(111),” <i>Physical Review
    B</i>, vol. 82, no. 11, 2010, doi: <a href="https://doi.org/10.1103/physrevb.82.115402">10.1103/physrevb.82.115402</a>.'
  mla: Thierfelder, C., and Wolf Gero Schmidt. “First-Principles Study of Water Adsorption
    and a High-Density Interfacial Ice Structure on(1×1)-O/Rh(111).” <i>Physical Review
    B</i>, vol. 82, no. 11, 2010, doi:<a href="https://doi.org/10.1103/physrevb.82.115402">10.1103/physrevb.82.115402</a>.
  short: C. Thierfelder, W.G. Schmidt, Physical Review B 82 (2010).
date_created: 2019-10-15T07:37:17Z
date_updated: 2025-12-16T07:48:16Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.82.115402
funded_apc: '1'
intvolume: '        82'
issue: '11'
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: First-principles study of water adsorption and a high-density interfacial ice
  structure on(1×1)-O/Rh(111)
type: journal_article
user_id: '16199'
volume: 82
year: '2010'
...
---
_id: '13829'
author:
- first_name: A.V.
  full_name: Krivosheeva, A.V.
  last_name: Krivosheeva
- 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
citation:
  ama: Krivosheeva AV, Sanna S, Schmidt WG. First-principles investigation of CO adsorption
    on Pt/Ge(001)-(4×2). <i>Computational Materials Science</i>. 2010;49(4):895-898.
    doi:<a href="https://doi.org/10.1016/j.commatsci.2010.06.043">10.1016/j.commatsci.2010.06.043</a>
  apa: Krivosheeva, A. V., Sanna, S., &#38; Schmidt, W. G. (2010). First-principles
    investigation of CO adsorption on Pt/Ge(001)-(4×2). <i>Computational Materials
    Science</i>, <i>49</i>(4), 895–898. <a href="https://doi.org/10.1016/j.commatsci.2010.06.043">https://doi.org/10.1016/j.commatsci.2010.06.043</a>
  bibtex: '@article{Krivosheeva_Sanna_Schmidt_2010, title={First-principles investigation
    of CO adsorption on Pt/Ge(001)-(4×2)}, volume={49}, DOI={<a href="https://doi.org/10.1016/j.commatsci.2010.06.043">10.1016/j.commatsci.2010.06.043</a>},
    number={4}, journal={Computational Materials Science}, author={Krivosheeva, A.V.
    and Sanna, S. and Schmidt, Wolf Gero}, year={2010}, pages={895–898} }'
  chicago: 'Krivosheeva, A.V., S. Sanna, and Wolf Gero Schmidt. “First-Principles
    Investigation of CO Adsorption on Pt/Ge(001)-(4×2).” <i>Computational Materials
    Science</i> 49, no. 4 (2010): 895–98. <a href="https://doi.org/10.1016/j.commatsci.2010.06.043">https://doi.org/10.1016/j.commatsci.2010.06.043</a>.'
  ieee: 'A. V. Krivosheeva, S. Sanna, and W. G. Schmidt, “First-principles investigation
    of CO adsorption on Pt/Ge(001)-(4×2),” <i>Computational Materials Science</i>,
    vol. 49, no. 4, pp. 895–898, 2010, doi: <a href="https://doi.org/10.1016/j.commatsci.2010.06.043">10.1016/j.commatsci.2010.06.043</a>.'
  mla: Krivosheeva, A. V., et al. “First-Principles Investigation of CO Adsorption
    on Pt/Ge(001)-(4×2).” <i>Computational Materials Science</i>, vol. 49, no. 4,
    2010, pp. 895–98, doi:<a href="https://doi.org/10.1016/j.commatsci.2010.06.043">10.1016/j.commatsci.2010.06.043</a>.
  short: A.V. Krivosheeva, S. Sanna, W.G. Schmidt, Computational Materials Science
    49 (2010) 895–898.
date_created: 2019-10-15T07:32:45Z
date_updated: 2025-12-16T07:49:36Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.commatsci.2010.06.043
funded_apc: '1'
intvolume: '        49'
issue: '4'
language:
- iso: eng
page: 895-898
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Computational Materials Science
publication_identifier:
  issn:
  - 0927-0256
publication_status: published
status: public
title: First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2)
type: journal_article
user_id: '16199'
volume: 49
year: '2010'
...
---
_id: '13827'
author:
- 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
citation:
  ama: Wippermann S, Schmidt WG. Entropy Explains Metal-Insulator Transition of the
    Si(111)-In Nanowire Array. <i>Physical Review Letters</i>. 2010;105(12). doi:<a
    href="https://doi.org/10.1103/physrevlett.105.126102">10.1103/physrevlett.105.126102</a>
  apa: Wippermann, S., &#38; Schmidt, W. G. (2010). Entropy Explains Metal-Insulator
    Transition of the Si(111)-In Nanowire Array. <i>Physical Review Letters</i>, <i>105</i>(12).
    <a href="https://doi.org/10.1103/physrevlett.105.126102">https://doi.org/10.1103/physrevlett.105.126102</a>
  bibtex: '@article{Wippermann_Schmidt_2010, title={Entropy Explains Metal-Insulator
    Transition of the Si(111)-In Nanowire Array}, volume={105}, DOI={<a href="https://doi.org/10.1103/physrevlett.105.126102">10.1103/physrevlett.105.126102</a>},
    number={12}, journal={Physical Review Letters}, author={Wippermann, S. and Schmidt,
    Wolf Gero}, year={2010} }'
  chicago: Wippermann, S., and Wolf Gero Schmidt. “Entropy Explains Metal-Insulator
    Transition of the Si(111)-In Nanowire Array.” <i>Physical Review Letters</i> 105,
    no. 12 (2010). <a href="https://doi.org/10.1103/physrevlett.105.126102">https://doi.org/10.1103/physrevlett.105.126102</a>.
  ieee: 'S. Wippermann and W. G. Schmidt, “Entropy Explains Metal-Insulator Transition
    of the Si(111)-In Nanowire Array,” <i>Physical Review Letters</i>, vol. 105, no.
    12, 2010, doi: <a href="https://doi.org/10.1103/physrevlett.105.126102">10.1103/physrevlett.105.126102</a>.'
  mla: Wippermann, S., and Wolf Gero Schmidt. “Entropy Explains Metal-Insulator Transition
    of the Si(111)-In Nanowire Array.” <i>Physical Review Letters</i>, vol. 105, no.
    12, 2010, doi:<a href="https://doi.org/10.1103/physrevlett.105.126102">10.1103/physrevlett.105.126102</a>.
  short: S. Wippermann, W.G. Schmidt, Physical Review Letters 105 (2010).
date_created: 2019-10-15T07:25:24Z
date_updated: 2025-12-16T07:50:18Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevlett.105.126102
funded_apc: '1'
intvolume: '       105'
issue: '12'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review Letters
publication_identifier:
  issn:
  - 0031-9007
  - 1079-7114
publication_status: published
status: public
title: Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array
type: journal_article
user_id: '16199'
volume: 105
year: '2010'
...
---
_id: '13833'
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
citation:
  ama: Sanna S, Schmidt WG. Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory.
    <i>Physical Review B</i>. 2010;81(21). doi:<a href="https://doi.org/10.1103/physrevb.81.214116">10.1103/physrevb.81.214116</a>
  apa: Sanna, S., &#38; Schmidt, W. G. (2010). Lithium niobateX-cut,Y-cut, andZ-cut
    surfaces fromab initiotheory. <i>Physical Review B</i>, <i>81</i>(21). <a href="https://doi.org/10.1103/physrevb.81.214116">https://doi.org/10.1103/physrevb.81.214116</a>
  bibtex: '@article{Sanna_Schmidt_2010, title={Lithium niobateX-cut,Y-cut, andZ-cut
    surfaces fromab initiotheory}, volume={81}, DOI={<a href="https://doi.org/10.1103/physrevb.81.214116">10.1103/physrevb.81.214116</a>},
    number={21}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf
    Gero}, year={2010} }'
  chicago: Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut
    Surfaces Fromab Initiotheory.” <i>Physical Review B</i> 81, no. 21 (2010). <a
    href="https://doi.org/10.1103/physrevb.81.214116">https://doi.org/10.1103/physrevb.81.214116</a>.
  ieee: 'S. Sanna and W. G. Schmidt, “Lithium niobateX-cut,Y-cut, andZ-cut surfaces
    fromab initiotheory,” <i>Physical Review B</i>, vol. 81, no. 21, 2010, doi: <a
    href="https://doi.org/10.1103/physrevb.81.214116">10.1103/physrevb.81.214116</a>.'
  mla: Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut
    Surfaces Fromab Initiotheory.” <i>Physical Review B</i>, vol. 81, no. 21, 2010,
    doi:<a href="https://doi.org/10.1103/physrevb.81.214116">10.1103/physrevb.81.214116</a>.
  short: S. Sanna, W.G. Schmidt, Physical Review B 81 (2010).
date_created: 2019-10-15T07:38:39Z
date_updated: 2025-12-16T07:47:47Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.81.214116
funded_apc: '1'
intvolume: '        81'
issue: '21'
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: Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory
type: journal_article
user_id: '16199'
volume: 81
year: '2010'
...
---
_id: '13830'
author:
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: J.
  full_name: Wiebe, J.
  last_name: Wiebe
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Rauls E, Wiebe J, Schmidt WG. Understanding the cubic AlN growth plane from
    first principles. <i>Journal of Crystal Growth</i>. 2010;312:2892-2895. doi:<a
    href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">10.1016/j.jcrysgro.2010.07.027</a>
  apa: Rauls, E., Wiebe, J., &#38; Schmidt, W. G. (2010). Understanding the cubic
    AlN growth plane from first principles. <i>Journal of Crystal Growth</i>, <i>312</i>,
    2892–2895. <a href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">https://doi.org/10.1016/j.jcrysgro.2010.07.027</a>
  bibtex: '@article{Rauls_Wiebe_Schmidt_2010, title={Understanding the cubic AlN growth
    plane from first principles}, volume={312}, DOI={<a href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">10.1016/j.jcrysgro.2010.07.027</a>},
    journal={Journal of Crystal Growth}, author={Rauls, E. and Wiebe, J. and Schmidt,
    Wolf Gero}, year={2010}, pages={2892–2895} }'
  chicago: 'Rauls, E., J. Wiebe, and Wolf Gero Schmidt. “Understanding the Cubic AlN
    Growth Plane from First Principles.” <i>Journal of Crystal Growth</i> 312 (2010):
    2892–95. <a href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">https://doi.org/10.1016/j.jcrysgro.2010.07.027</a>.'
  ieee: 'E. Rauls, J. Wiebe, and W. G. Schmidt, “Understanding the cubic AlN growth
    plane from first principles,” <i>Journal of Crystal Growth</i>, vol. 312, pp.
    2892–2895, 2010, doi: <a href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">10.1016/j.jcrysgro.2010.07.027</a>.'
  mla: Rauls, E., et al. “Understanding the Cubic AlN Growth Plane from First Principles.”
    <i>Journal of Crystal Growth</i>, vol. 312, 2010, pp. 2892–95, doi:<a href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">10.1016/j.jcrysgro.2010.07.027</a>.
  short: E. Rauls, J. Wiebe, W.G. Schmidt, Journal of Crystal Growth 312 (2010) 2892–2895.
date_created: 2019-10-15T07:34:48Z
date_updated: 2025-12-16T07:49:01Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1016/j.jcrysgro.2010.07.027
funded_apc: '1'
intvolume: '       312'
language:
- iso: eng
page: 2892-2895
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of Crystal Growth
publication_identifier:
  issn:
  - 0022-0248
publication_status: published
status: public
title: Understanding the cubic AlN growth plane from first principles
type: journal_article
user_id: '16199'
volume: 312
year: '2010'
...
---
_id: '13834'
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
citation:
  ama: Sanna S, Schmidt WG. GaN/LiNbO3 (0001) interface formation calculated from
    first-principles. <i>Applied Surface Science</i>. 2010;256:5740-5743. doi:<a href="https://doi.org/10.1016/j.apsusc.2010.03.098">10.1016/j.apsusc.2010.03.098</a>
  apa: Sanna, S., &#38; Schmidt, W. G. (2010). GaN/LiNbO3 (0001) interface formation
    calculated from first-principles. <i>Applied Surface Science</i>, <i>256</i>,
    5740–5743. <a href="https://doi.org/10.1016/j.apsusc.2010.03.098">https://doi.org/10.1016/j.apsusc.2010.03.098</a>
  bibtex: '@article{Sanna_Schmidt_2010, title={GaN/LiNbO3 (0001) interface formation
    calculated from first-principles}, volume={256}, DOI={<a href="https://doi.org/10.1016/j.apsusc.2010.03.098">10.1016/j.apsusc.2010.03.098</a>},
    journal={Applied Surface Science}, author={Sanna, Simone and Schmidt, Wolf Gero},
    year={2010}, pages={5740–5743} }'
  chicago: 'Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation
    Calculated from First-Principles.” <i>Applied Surface Science</i> 256 (2010):
    5740–43. <a href="https://doi.org/10.1016/j.apsusc.2010.03.098">https://doi.org/10.1016/j.apsusc.2010.03.098</a>.'
  ieee: 'S. Sanna and W. G. Schmidt, “GaN/LiNbO3 (0001) interface formation calculated
    from first-principles,” <i>Applied Surface Science</i>, vol. 256, pp. 5740–5743,
    2010, doi: <a href="https://doi.org/10.1016/j.apsusc.2010.03.098">10.1016/j.apsusc.2010.03.098</a>.'
  mla: Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation
    Calculated from First-Principles.” <i>Applied Surface Science</i>, vol. 256, 2010,
    pp. 5740–43, doi:<a href="https://doi.org/10.1016/j.apsusc.2010.03.098">10.1016/j.apsusc.2010.03.098</a>.
  short: S. Sanna, W.G. Schmidt, Applied Surface Science 256 (2010) 5740–5743.
date_created: 2019-10-15T07:40:10Z
date_updated: 2025-12-16T07:47:24Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.apsusc.2010.03.098
funded_apc: '1'
intvolume: '       256'
language:
- iso: eng
page: 5740-5743
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Applied Surface Science
publication_identifier:
  issn:
  - 0169-4332
publication_status: published
status: public
title: GaN/LiNbO3 (0001) interface formation calculated from first-principles
type: journal_article
user_id: '16199'
volume: 256
year: '2010'
...
---
_id: '13826'
author:
- first_name: S.
  full_name: Blankenburg, S.
  last_name: Blankenburg
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Blankenburg S, Rauls E, Schmidt WG. Catalytic Action of a Cu(111) Surface on
    Tetraazaperopyrene Polymerization. <i>The Journal of Physical Chemistry Letters</i>.
    2010;1:3266-3270. doi:<a href="https://doi.org/10.1021/jz101389u">10.1021/jz101389u</a>
  apa: Blankenburg, S., Rauls, E., &#38; Schmidt, W. G. (2010). Catalytic Action of
    a Cu(111) Surface on Tetraazaperopyrene Polymerization. <i>The Journal of Physical
    Chemistry Letters</i>, <i>1</i>, 3266–3270. <a href="https://doi.org/10.1021/jz101389u">https://doi.org/10.1021/jz101389u</a>
  bibtex: '@article{Blankenburg_Rauls_Schmidt_2010, title={Catalytic Action of a Cu(111)
    Surface on Tetraazaperopyrene Polymerization}, volume={1}, DOI={<a href="https://doi.org/10.1021/jz101389u">10.1021/jz101389u</a>},
    journal={The Journal of Physical Chemistry Letters}, author={Blankenburg, S. and
    Rauls, E. and Schmidt, Wolf Gero}, year={2010}, pages={3266–3270} }'
  chicago: 'Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “Catalytic Action of
    a Cu(111) Surface on Tetraazaperopyrene Polymerization.” <i>The Journal of Physical
    Chemistry Letters</i> 1 (2010): 3266–70. <a href="https://doi.org/10.1021/jz101389u">https://doi.org/10.1021/jz101389u</a>.'
  ieee: 'S. Blankenburg, E. Rauls, and W. G. Schmidt, “Catalytic Action of a Cu(111)
    Surface on Tetraazaperopyrene Polymerization,” <i>The Journal of Physical Chemistry
    Letters</i>, vol. 1, pp. 3266–3270, 2010, doi: <a href="https://doi.org/10.1021/jz101389u">10.1021/jz101389u</a>.'
  mla: Blankenburg, S., et al. “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene
    Polymerization.” <i>The Journal of Physical Chemistry Letters</i>, vol. 1, 2010,
    pp. 3266–70, doi:<a href="https://doi.org/10.1021/jz101389u">10.1021/jz101389u</a>.
  short: S. Blankenburg, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry
    Letters 1 (2010) 3266–3270.
date_created: 2019-10-15T07:24:15Z
date_updated: 2025-12-16T07:50:41Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/jz101389u
funded_apc: '1'
intvolume: '         1'
language:
- iso: eng
page: 3266-3270
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry Letters
publication_identifier:
  issn:
  - 1948-7185
publication_status: published
status: public
title: Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization
type: journal_article
user_id: '16199'
volume: 1
year: '2010'
...