---
_id: '21112'
abstract:
- lang: eng
  text: Photovoltaics is one of the most promising and fastest-growing renewable energy
    technologies. Although the price-performance ratio of solar cells has improved
    significantly over recent years{,} further systematic investigations are needed
    to achieve higher performance and lower cost for future solar cells. In conjunction
    with experiments{,} computer simulations are powerful tools to investigate the
    thermodynamics and kinetics of solar cells. Over the last few years{,} we have
    developed and employed advanced computational techniques to gain a better understanding
    of solar cells based on copper indium gallium selenide (Cu(In{,}Ga)Se2). Furthermore{,}
    we have utilized state-of-the-art data-driven science and machine learning for
    the development of photovoltaic materials. In this Perspective{,} we review our
    results along with a survey of the field.
author:
- first_name: S. Hossein
  full_name: Mirhosseini, S. Hossein
  id: '71051'
  last_name: Mirhosseini
  orcid: 0000-0001-6179-1545
- first_name: Ramya
  full_name: Kormath Madam Raghupathy, Ramya
  id: '71692'
  last_name: Kormath Madam Raghupathy
  orcid: https://orcid.org/0000-0003-4667-9744
- first_name: Sudhir K.
  full_name: Sahoo, Sudhir K.
  last_name: Sahoo
- first_name: Hendrik
  full_name: Wiebeler, Hendrik
  last_name: Wiebeler
- first_name: Manjusha
  full_name: Chugh, Manjusha
  id: '71511'
  last_name: Chugh
- first_name: Thomas
  full_name: Kühne, Thomas
  id: '49079'
  last_name: Kühne
citation:
  ama: Mirhosseini SH, Kormath Madam Raghupathy R, Sahoo SK, Wiebeler H, Chugh M,
    Kühne T. In silico investigation of Cu(In,Ga)Se2-based solar cells. <i>Phys Chem
    Chem Phys</i>. 2020;22:26682-26701. doi:<a href="https://doi.org/10.1039/D0CP04712K">10.1039/D0CP04712K</a>
  apa: Mirhosseini, S. H., Kormath Madam Raghupathy, R., Sahoo, S. K., Wiebeler, H.,
    Chugh, M., &#38; Kühne, T. (2020). In silico investigation of Cu(In,Ga)Se2-based
    solar cells. <i>Phys. Chem. Chem. Phys.</i>, <i>22</i>, 26682–26701. <a href="https://doi.org/10.1039/D0CP04712K">https://doi.org/10.1039/D0CP04712K</a>
  bibtex: '@article{Mirhosseini_Kormath Madam Raghupathy_Sahoo_Wiebeler_Chugh_Kühne_2020,
    title={In silico investigation of Cu(In,Ga)Se2-based solar cells}, volume={22},
    DOI={<a href="https://doi.org/10.1039/D0CP04712K">10.1039/D0CP04712K</a>}, journal={Phys.
    Chem. Chem. Phys.}, publisher={The Royal Society of Chemistry}, author={Mirhosseini,
    S. Hossein and Kormath Madam Raghupathy, Ramya and Sahoo, Sudhir K. and Wiebeler,
    Hendrik and Chugh, Manjusha and Kühne, Thomas}, year={2020}, pages={26682–26701}
    }'
  chicago: 'Mirhosseini, S. Hossein, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo,
    Hendrik Wiebeler, Manjusha Chugh, and Thomas Kühne. “In Silico Investigation of
    Cu(In,Ga)Se2-Based Solar Cells.” <i>Phys. Chem. Chem. Phys.</i> 22 (2020): 26682–701.
    <a href="https://doi.org/10.1039/D0CP04712K">https://doi.org/10.1039/D0CP04712K</a>.'
  ieee: 'S. H. Mirhosseini, R. Kormath Madam Raghupathy, S. K. Sahoo, H. Wiebeler,
    M. Chugh, and T. Kühne, “In silico investigation of Cu(In,Ga)Se2-based solar cells,”
    <i>Phys. Chem. Chem. Phys.</i>, vol. 22, pp. 26682–26701, 2020, doi: <a href="https://doi.org/10.1039/D0CP04712K">10.1039/D0CP04712K</a>.'
  mla: Mirhosseini, S. Hossein, et al. “In Silico Investigation of Cu(In,Ga)Se2-Based
    Solar Cells.” <i>Phys. Chem. Chem. Phys.</i>, vol. 22, The Royal Society of Chemistry,
    2020, pp. 26682–701, doi:<a href="https://doi.org/10.1039/D0CP04712K">10.1039/D0CP04712K</a>.
  short: S.H. Mirhosseini, R. Kormath Madam Raghupathy, S.K. Sahoo, H. Wiebeler, M.
    Chugh, T. Kühne, Phys. Chem. Chem. Phys. 22 (2020) 26682–26701.
date_created: 2021-01-29T15:21:45Z
date_updated: 2022-07-21T09:34:02Z
department:
- _id: '304'
doi: 10.1039/D0CP04712K
intvolume: '        22'
language:
- iso: eng
page: 26682-26701
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Phys. Chem. Chem. Phys.
publisher: The Royal Society of Chemistry
status: public
title: In silico investigation of Cu(In,Ga)Se2-based solar cells
type: journal_article
user_id: '71051'
volume: 22
year: '2020'
...