S. Hossein Mirhosseini

Theoretische Chemie
mirhosse@mail.uni-paderborn.de
ID
71051

32 Publications

Mark all

[32]
2022 | Journal Article | LibreCat-ID: 33676
Schulze Lammers, B., López-Salas, N., Stein Siena, J., Mirhosseini, H., Yesilpinar, D., Heske, J. J., Kühne, T., Fuchs, H., Antonietti, M., & Mönig, H. (2022). Real-Space Identification of Non-Noble Single Atomic Catalytic Sites within Metal-Coordinated Supramolecular Networks. ACS Nano, 16(9), 14284–14296. https://doi.org/10.1021/acsnano.2c04439
LibreCat | DOI
 
[31]
2022 | Journal Article | LibreCat-ID: 33686
Elizabeth, A., Sahoo, S. K., Phirke, H., Kodalle, T., Kühne, T., Audinot, J.-N., Wirtz, T., Redinger, A., Kaufmann, C. A., Mirhosseini, H., & Mönig, H. (2022). Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se2 Solar Cell Absorbers. ACS Applied Materials & Interfaces, 14(29), 34101–34112. https://doi.org/10.1021/acsami.2c08257
LibreCat | DOI
 
[30]
2022 | Journal Article | LibreCat-ID: 33689
Raghuwanshi, M., Chugh, M., Sozzi, G., Kanevce, A., Kühne, T., Mirhosseini, H., Wuerz, R., & Cojocaru‐Mirédin, O. (2022). Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se            2            Thin‐Film Solar Cells. Advanced Materials, 34(37), Article 2203954. https://doi.org/10.1002/adma.202203954
LibreCat | DOI
 
[29]
2022 | Journal Article | LibreCat-ID: 33690
Ibaceta-Jaña, J., Chugh, M., Novikov, A. S., Mirhosseini, H., Kühne, T., Szyszka, B., Wagner, M. R., & Muydinov, R. (2022). Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds? The Journal of Physical Chemistry C, 126(38), 16215–16226. https://doi.org/10.1021/acs.jpcc.2c02984
LibreCat | DOI
 
[28]
2021 | Journal Article | LibreCat-ID: 22220
Wang, X., Kormath Madam Raghupathy, R., Querebillo, C. J., Liao, Z., Li, D., Lin, K., Hantusch, M., Sofer, Z., Li, B., Zschech, E., Weidinger, I. M., Kühne, T., Mirhosseini, H., Yu, M., & Feng, X. (2021). Interfacial Covalent Bonds Regulated Electron-Deficient 2D Black Phosphorus for Electrocatalytic Oxygen Reactions. Advanced Materials, 33(20), 2008752. https://doi.org/10.1002/adma.202008752
LibreCat | DOI
 
[27]
2021 | Journal Article | LibreCat-ID: 29700
Ghasemi, A., Mirhosseini, H., & Kühne, T. (2021). Thermodynamically stable polymorphs of nitrogen-rich carbon nitrides: a C3N5 study. Phys. Chem. Chem. Phys., 23, 6422–6432. https://doi.org/10.1039/D0CP06185A
LibreCat | DOI
 
[26]
2021 | Journal Article | LibreCat-ID: 33655
Chugh, M., Jain, M., Wang, G., Nia, A. S., Mirhosseini, H., & Kühne, T. (2021). A combinatorial study of electrochemical anion intercalation into graphite. Materials Research Express, 8(8), Article 085502. https://doi.org/10.1088/2053-1591/ac1965
LibreCat | DOI
 
[25]
2021 | Journal Article | LibreCat-ID: 33657
Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., & Kühne, T. (2021). An automated approach for developing neural network interatomic potentials with FLAME. Computational Materials Science, 197, Article 110567. https://doi.org/10.1016/j.commatsci.2021.110567
LibreCat | DOI
 
[24]
2021 | Journal Article | LibreCat-ID: 33659
Ranjbar, A., Mirhosseini, H., & Kühne, T. (2021). On topological materials as photocatalysts for water splitting by visible light. Journal of Physics: Materials, 5(1), Article 015001. https://doi.org/10.1088/2515-7639/ac363d
LibreCat | DOI
 
[23]
2020 | Journal Article | LibreCat-ID: 19823
Elizabeth, A., Conradi, H., K. Sahoo, S., Kodalle, T., A. Kaufmann, C., Kühne, T., … Mönig, H. (2020). Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. Acta Materialia, 200. https://doi.org/10.1016/j.actamat.2020.09.028
LibreCat | DOI
 
[22]
2020 | Journal Article | LibreCat-ID: 21241
Wiebeler, H., Kormath Madam Raghupathy, R., Mirhosseini, S. H., & Kühne, T. (2020). Virtual screening of nitrogen-, phosphorous- and halide-containing materials as p-type transparent conductors. Journal of Physics: Materials, 4(1), 015004. https://doi.org/10.1088/2515-7639/abc762
LibreCat | DOI
 
[21]
2020 | Journal Article | LibreCat-ID: 19844
Elizabeth, A., Sahoo, S. K., Lockhorn, D., Timmer, A., Aghdassi, N., Zacharias, H., Kühne, T., Siebentritt, S., Mirhosseini, H., & Mönig, H. (2020). Oxidation/reduction cycles and their reversible effect on the dipole formation at CuInSe2 surfaces. Phys. Rev. Materials, 4, 063401. https://doi.org/10.1103/PhysRevMaterials.4.063401
LibreCat | DOI
 
[20]
2020 | Journal Article | LibreCat-ID: 21112
Mirhosseini, S. H., Kormath Madam Raghupathy, R., Sahoo, S. K., Wiebeler, H., Chugh, M., & Kühne, T. (2020). In silico investigation of Cu(In,Ga)Se2-based solar cells. Phys. Chem. Chem. Phys., 22, 26682–26701. https://doi.org/10.1039/D0CP04712K
LibreCat | DOI
 
[19]
2020 | Journal Article | LibreCat-ID: 21240
Yu, M., Chandrasekhar, N., Kormath Madam Raghupathy, R., Ly, K. H., Zhang, H., Dmitrieva, E., Liang, C., Lu, X., Kühne, T., Mirhosseini, S. H., Weidinger, I. M., & Feng, X. (2020). A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices. Journal of the American Chemical Society, 142(46), 19570–19578. https://doi.org/10.1021/jacs.0c07992
LibreCat | DOI
 
[18]
2020 | Journal Article | LibreCat-ID: 17374
Ibaceta-Jaña, J., Muydinov, R., Rosado, P., Mirhosseini, H., Chugh, M., Nazarenko, O., Dirin, D. N., Heinrich, D., Wagner, M. R., Kühne, T., Szyszka, B., Kovalenko, M. V., & Hoffmann, A. (2020). Vibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopy. Phys. Chem. Chem. Phys., 22, 5604–5614. https://doi.org/10.1039/C9CP06568G
LibreCat | DOI
 
[17]
2020 | Journal Article | LibreCat-ID: 17376
Schöppe, P., Schönherr, S., Chugh, M., Mirhosseini, H., Jackson, P., Wuerz, R., Ritzer, M., Johannes, A., Martínez-Criado, G., Wisniewski, W., Schwarz, T., T. Plass, C., Hafermann, M., Kühne, T., S. Schnohr, C., & Ronning, C. (2020). Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells. Nano Energy, 71, 104622. https://doi.org/10.1016/j.nanoen.2020.104622
LibreCat | DOI
 
[16]
2020 | Journal Article | LibreCat-ID: 33646
Majumdar, I., Sahoo, S. K., Parvan, V., Mirhosseini, H., Chacko, B., Wang, Y., Greiner, D., Kühne, T., Schlatmann, R., & Lauermann, I. (2020). Effects of KF and RbF treatments on Cu(In,Ga)Se2-based solar cells: A combined photoelectron spectroscopy and DFT study. Applied Surface Science, 538, Article 148085. https://doi.org/10.1016/j.apsusc.2020.148085
LibreCat | DOI
 
[15]
2019 | Journal Article | LibreCat-ID: 13211
Kodalle, T., Kormath Madam Raghupathy, R., Bertram, T., Maticiuc, N., Yetkin, H. A., Gunder, R., … Mirhosseini, H. (2019). Properties of Co-Evaporated RbInSe2 Thin Films. Physica Status Solidi (RRL)--Rapid Research Letters, 13(3), 1800564. https://doi.org/10.1002/pssr.201800564
LibreCat | DOI
 
[14]
2019 | Journal Article | LibreCat-ID: 15723
Guc, M., Kodalle, T., Kormath Madam Raghupathy, R., Mirhosseini, H., Kühne, T., Becerril-Romero, I., Pérez-Rodríguez, A., Kaufmann, C. A., & Izquierdo-Roca, V. (2019). Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations. The Journal of Physical Chemistry C, 1285–1291. https://doi.org/10.1021/acs.jpcc.9b08781
LibreCat | DOI
 
[13]
2019 | Journal Article | LibreCat-ID: 13230
Chugh, M., Kühne, Thomas D., & Mirhosseini, H. (2019). Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries. ACS Applied Materials & Interfaces, 11(16), 14821−14829. https://doi.org/10.1021/acsami.9b02158
LibreCat | DOI
 
[12]
2019 | Journal Article | LibreCat-ID: 15726
Chugh, M., Kühne, T., & Mirhosseini, S. H. (2019). Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries. ACS Applied Materials & Interfaces, 14821–14829. https://doi.org/10.1021/acsami.9b02158
LibreCat | DOI
 
[11]
2019 | Journal Article | LibreCat-ID: 15725
Kormath Madam Raghupathy, R., Kühne, T., Henkelman, G., & Mirhosseini, H. (2019). Alkali Atoms Diffusion Mechanism in CuInSe            2            Explained by Kinetic Monte Carlo Simulations. Advanced Theory and Simulations, Article 1900036. https://doi.org/10.1002/adts.201900036
LibreCat | DOI
 
[10]
2018 | Journal Article | LibreCat-ID: 13209
Sahoo, S., Kormath Madam Raghupathy, R., Kühne, T., & Mirhosseini, H. (2018). Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water. J. Phys. Chem. C, 122(37), 21202–21209. https://doi.org/10.1021/acs.jpcc.8b06709
LibreCat | DOI
 
[9]
2018 | Journal Article | LibreCat-ID: 13210
Kormath Madam Raghupathy, R., Wiebeler, H., Kühne, T., Felser, C., & Mirhosseini, H. (2018). Database screening of ternary chalcogenides for p-type transparent conductors. Chemistry of Materials, 30(19), 6794–6800. https://doi.org/10.1021/acs.chemmater.8b02719
LibreCat | DOI
 
[8]
2018 | Journal Article | LibreCat-ID: 13208
Kormath Madam Raghupathy, R., Kühne, T., Felser, C., & Mirhosseini, H. (2018). Rational design of transparent p-type conducting non-oxide materials from high-throughput calculations. Journal of Materials Chemistry C, 6(3), 541–549. https://doi.org/10.1039/C7TC05311H
LibreCat | DOI
 
[7]
2018 | Journal Article | LibreCat-ID: 15727
Kodalle, T., Kormath Madam Raghupathy, R., Bertram, T., Maticiuc, N., Yetkin, H. A., Gunder, R., Schlatmann, R., Kühne, T., Kaufmann, C. A., & Mirhosseini, S. H. (2018). Properties of Co‐Evaporated RbInSe            2            Thin Films. Physica Status Solidi (RRL) – Rapid Research Letters, Article 1800564. https://doi.org/10.1002/pssr.201800564
LibreCat | DOI
 
[6]
2016 | Journal Article | LibreCat-ID: 19842
Naumov, P., Barkalov, O., Mirhosseini, H., Felser, C., & A Medvedev, S. (2016). Atomic and electronic structures evolution of the narrow band gap semiconductor Ag2Se under high pressure. Journal of Physics: Condensed Matter, 28(38), 385801. https://doi.org/10.1088/0953-8984/28/38/385801
LibreCat | DOI
 
[5]
2016 | Journal Article | LibreCat-ID: 15731
Thonig, D., Rauch, T., Mirhosseini, H., Henk, J., Mertig, I., Wortelen, H., … Donath, M. (2016). Existence of topological nontrivial surface states in strained transition metals: W, Ta, Mo, and Nb. Physical Review B. https://doi.org/10.1103/physrevb.94.155132
LibreCat | DOI
 
[4]
2016 | Journal Article | LibreCat-ID: 15732
Mirhosseini, H., Kiss, J., Roma, G., & Felser, C. (2016). Reducing the Schottky barrier height at the MoSe2/Mo(110) interface in thin-film solar cells: Insights from first-principles calculations. Thin Solid Films, 143–147. https://doi.org/10.1016/j.tsf.2016.03.053
LibreCat | DOI
 
[3]
2016 | Journal Article | LibreCat-ID: 15733
Miyamoto, K., Wortelen, H., Mirhosseini, H., Okuda, T., Kimura, A., Iwasawa, H., … Donath, M. (2016). Orbital-symmetry-selective spin characterization of Dirac-cone-like state on W(110). Physical Review B. https://doi.org/10.1103/physrevb.93.161403
LibreCat | DOI
 
[2]
2016 | Journal Article | LibreCat-ID: 15734
Ghorbani, E., Kiss, J., Mirhosseini, H., Schmidt, M., Windeln, J., Kühne, T., & Felser, C. (2016). Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations. The Journal of Physical Chemistry C, 2064–2069. https://doi.org/10.1021/acs.jpcc.5b11022
LibreCat | DOI
 
[1]
2015 | Journal Article | LibreCat-ID: 15736
Ghorbani, E., Kiss, J., Mirhosseini, H., Roma, G., Schmidt, M., Windeln, J., … Felser, C. (2015). Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials. The Journal of Physical Chemistry C, 25197–25203. https://doi.org/10.1021/acs.jpcc.5b07639
LibreCat | DOI
 
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32 Publications

Mark all

[32]
2022 | Journal Article | LibreCat-ID: 33676
Schulze Lammers, B., López-Salas, N., Stein Siena, J., Mirhosseini, H., Yesilpinar, D., Heske, J. J., Kühne, T., Fuchs, H., Antonietti, M., & Mönig, H. (2022). Real-Space Identification of Non-Noble Single Atomic Catalytic Sites within Metal-Coordinated Supramolecular Networks. ACS Nano, 16(9), 14284–14296. https://doi.org/10.1021/acsnano.2c04439
LibreCat | DOI
 
[31]
2022 | Journal Article | LibreCat-ID: 33686
Elizabeth, A., Sahoo, S. K., Phirke, H., Kodalle, T., Kühne, T., Audinot, J.-N., Wirtz, T., Redinger, A., Kaufmann, C. A., Mirhosseini, H., & Mönig, H. (2022). Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se2 Solar Cell Absorbers. ACS Applied Materials & Interfaces, 14(29), 34101–34112. https://doi.org/10.1021/acsami.2c08257
LibreCat | DOI
 
[30]
2022 | Journal Article | LibreCat-ID: 33689
Raghuwanshi, M., Chugh, M., Sozzi, G., Kanevce, A., Kühne, T., Mirhosseini, H., Wuerz, R., & Cojocaru‐Mirédin, O. (2022). Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se            2            Thin‐Film Solar Cells. Advanced Materials, 34(37), Article 2203954. https://doi.org/10.1002/adma.202203954
LibreCat | DOI
 
[29]
2022 | Journal Article | LibreCat-ID: 33690
Ibaceta-Jaña, J., Chugh, M., Novikov, A. S., Mirhosseini, H., Kühne, T., Szyszka, B., Wagner, M. R., & Muydinov, R. (2022). Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds? The Journal of Physical Chemistry C, 126(38), 16215–16226. https://doi.org/10.1021/acs.jpcc.2c02984
LibreCat | DOI
 
[28]
2021 | Journal Article | LibreCat-ID: 22220
Wang, X., Kormath Madam Raghupathy, R., Querebillo, C. J., Liao, Z., Li, D., Lin, K., Hantusch, M., Sofer, Z., Li, B., Zschech, E., Weidinger, I. M., Kühne, T., Mirhosseini, H., Yu, M., & Feng, X. (2021). Interfacial Covalent Bonds Regulated Electron-Deficient 2D Black Phosphorus for Electrocatalytic Oxygen Reactions. Advanced Materials, 33(20), 2008752. https://doi.org/10.1002/adma.202008752
LibreCat | DOI
 
[27]
2021 | Journal Article | LibreCat-ID: 29700
Ghasemi, A., Mirhosseini, H., & Kühne, T. (2021). Thermodynamically stable polymorphs of nitrogen-rich carbon nitrides: a C3N5 study. Phys. Chem. Chem. Phys., 23, 6422–6432. https://doi.org/10.1039/D0CP06185A
LibreCat | DOI
 
[26]
2021 | Journal Article | LibreCat-ID: 33655
Chugh, M., Jain, M., Wang, G., Nia, A. S., Mirhosseini, H., & Kühne, T. (2021). A combinatorial study of electrochemical anion intercalation into graphite. Materials Research Express, 8(8), Article 085502. https://doi.org/10.1088/2053-1591/ac1965
LibreCat | DOI
 
[25]
2021 | Journal Article | LibreCat-ID: 33657
Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., & Kühne, T. (2021). An automated approach for developing neural network interatomic potentials with FLAME. Computational Materials Science, 197, Article 110567. https://doi.org/10.1016/j.commatsci.2021.110567
LibreCat | DOI
 
[24]
2021 | Journal Article | LibreCat-ID: 33659
Ranjbar, A., Mirhosseini, H., & Kühne, T. (2021). On topological materials as photocatalysts for water splitting by visible light. Journal of Physics: Materials, 5(1), Article 015001. https://doi.org/10.1088/2515-7639/ac363d
LibreCat | DOI
 
[23]
2020 | Journal Article | LibreCat-ID: 19823
Elizabeth, A., Conradi, H., K. Sahoo, S., Kodalle, T., A. Kaufmann, C., Kühne, T., … Mönig, H. (2020). Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. Acta Materialia, 200. https://doi.org/10.1016/j.actamat.2020.09.028
LibreCat | DOI
 
[22]
2020 | Journal Article | LibreCat-ID: 21241
Wiebeler, H., Kormath Madam Raghupathy, R., Mirhosseini, S. H., & Kühne, T. (2020). Virtual screening of nitrogen-, phosphorous- and halide-containing materials as p-type transparent conductors. Journal of Physics: Materials, 4(1), 015004. https://doi.org/10.1088/2515-7639/abc762
LibreCat | DOI
 
[21]
2020 | Journal Article | LibreCat-ID: 19844
Elizabeth, A., Sahoo, S. K., Lockhorn, D., Timmer, A., Aghdassi, N., Zacharias, H., Kühne, T., Siebentritt, S., Mirhosseini, H., & Mönig, H. (2020). Oxidation/reduction cycles and their reversible effect on the dipole formation at CuInSe2 surfaces. Phys. Rev. Materials, 4, 063401. https://doi.org/10.1103/PhysRevMaterials.4.063401
LibreCat | DOI
 
[20]
2020 | Journal Article | LibreCat-ID: 21112
Mirhosseini, S. H., Kormath Madam Raghupathy, R., Sahoo, S. K., Wiebeler, H., Chugh, M., & Kühne, T. (2020). In silico investigation of Cu(In,Ga)Se2-based solar cells. Phys. Chem. Chem. Phys., 22, 26682–26701. https://doi.org/10.1039/D0CP04712K
LibreCat | DOI
 
[19]
2020 | Journal Article | LibreCat-ID: 21240
Yu, M., Chandrasekhar, N., Kormath Madam Raghupathy, R., Ly, K. H., Zhang, H., Dmitrieva, E., Liang, C., Lu, X., Kühne, T., Mirhosseini, S. H., Weidinger, I. M., & Feng, X. (2020). A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices. Journal of the American Chemical Society, 142(46), 19570–19578. https://doi.org/10.1021/jacs.0c07992
LibreCat | DOI
 
[18]
2020 | Journal Article | LibreCat-ID: 17374
Ibaceta-Jaña, J., Muydinov, R., Rosado, P., Mirhosseini, H., Chugh, M., Nazarenko, O., Dirin, D. N., Heinrich, D., Wagner, M. R., Kühne, T., Szyszka, B., Kovalenko, M. V., & Hoffmann, A. (2020). Vibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopy. Phys. Chem. Chem. Phys., 22, 5604–5614. https://doi.org/10.1039/C9CP06568G
LibreCat | DOI
 
[17]
2020 | Journal Article | LibreCat-ID: 17376
Schöppe, P., Schönherr, S., Chugh, M., Mirhosseini, H., Jackson, P., Wuerz, R., Ritzer, M., Johannes, A., Martínez-Criado, G., Wisniewski, W., Schwarz, T., T. Plass, C., Hafermann, M., Kühne, T., S. Schnohr, C., & Ronning, C. (2020). Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells. Nano Energy, 71, 104622. https://doi.org/10.1016/j.nanoen.2020.104622
LibreCat | DOI
 
[16]
2020 | Journal Article | LibreCat-ID: 33646
Majumdar, I., Sahoo, S. K., Parvan, V., Mirhosseini, H., Chacko, B., Wang, Y., Greiner, D., Kühne, T., Schlatmann, R., & Lauermann, I. (2020). Effects of KF and RbF treatments on Cu(In,Ga)Se2-based solar cells: A combined photoelectron spectroscopy and DFT study. Applied Surface Science, 538, Article 148085. https://doi.org/10.1016/j.apsusc.2020.148085
LibreCat | DOI
 
[15]
2019 | Journal Article | LibreCat-ID: 13211
Kodalle, T., Kormath Madam Raghupathy, R., Bertram, T., Maticiuc, N., Yetkin, H. A., Gunder, R., … Mirhosseini, H. (2019). Properties of Co-Evaporated RbInSe2 Thin Films. Physica Status Solidi (RRL)--Rapid Research Letters, 13(3), 1800564. https://doi.org/10.1002/pssr.201800564
LibreCat | DOI
 
[14]
2019 | Journal Article | LibreCat-ID: 15723
Guc, M., Kodalle, T., Kormath Madam Raghupathy, R., Mirhosseini, H., Kühne, T., Becerril-Romero, I., Pérez-Rodríguez, A., Kaufmann, C. A., & Izquierdo-Roca, V. (2019). Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations. The Journal of Physical Chemistry C, 1285–1291. https://doi.org/10.1021/acs.jpcc.9b08781
LibreCat | DOI
 
[13]
2019 | Journal Article | LibreCat-ID: 13230
Chugh, M., Kühne, Thomas D., & Mirhosseini, H. (2019). Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries. ACS Applied Materials & Interfaces, 11(16), 14821−14829. https://doi.org/10.1021/acsami.9b02158
LibreCat | DOI
 
[12]
2019 | Journal Article | LibreCat-ID: 15726
Chugh, M., Kühne, T., & Mirhosseini, S. H. (2019). Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries. ACS Applied Materials & Interfaces, 14821–14829. https://doi.org/10.1021/acsami.9b02158
LibreCat | DOI
 
[11]
2019 | Journal Article | LibreCat-ID: 15725
Kormath Madam Raghupathy, R., Kühne, T., Henkelman, G., & Mirhosseini, H. (2019). Alkali Atoms Diffusion Mechanism in CuInSe            2            Explained by Kinetic Monte Carlo Simulations. Advanced Theory and Simulations, Article 1900036. https://doi.org/10.1002/adts.201900036
LibreCat | DOI
 
[10]
2018 | Journal Article | LibreCat-ID: 13209
Sahoo, S., Kormath Madam Raghupathy, R., Kühne, T., & Mirhosseini, H. (2018). Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water. J. Phys. Chem. C, 122(37), 21202–21209. https://doi.org/10.1021/acs.jpcc.8b06709
LibreCat | DOI
 
[9]
2018 | Journal Article | LibreCat-ID: 13210
Kormath Madam Raghupathy, R., Wiebeler, H., Kühne, T., Felser, C., & Mirhosseini, H. (2018). Database screening of ternary chalcogenides for p-type transparent conductors. Chemistry of Materials, 30(19), 6794–6800. https://doi.org/10.1021/acs.chemmater.8b02719
LibreCat | DOI
 
[8]
2018 | Journal Article | LibreCat-ID: 13208
Kormath Madam Raghupathy, R., Kühne, T., Felser, C., & Mirhosseini, H. (2018). Rational design of transparent p-type conducting non-oxide materials from high-throughput calculations. Journal of Materials Chemistry C, 6(3), 541–549. https://doi.org/10.1039/C7TC05311H
LibreCat | DOI
 
[7]
2018 | Journal Article | LibreCat-ID: 15727
Kodalle, T., Kormath Madam Raghupathy, R., Bertram, T., Maticiuc, N., Yetkin, H. A., Gunder, R., Schlatmann, R., Kühne, T., Kaufmann, C. A., & Mirhosseini, S. H. (2018). Properties of Co‐Evaporated RbInSe            2            Thin Films. Physica Status Solidi (RRL) – Rapid Research Letters, Article 1800564. https://doi.org/10.1002/pssr.201800564
LibreCat | DOI
 
[6]
2016 | Journal Article | LibreCat-ID: 19842
Naumov, P., Barkalov, O., Mirhosseini, H., Felser, C., & A Medvedev, S. (2016). Atomic and electronic structures evolution of the narrow band gap semiconductor Ag2Se under high pressure. Journal of Physics: Condensed Matter, 28(38), 385801. https://doi.org/10.1088/0953-8984/28/38/385801
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[5]
2016 | Journal Article | LibreCat-ID: 15731
Thonig, D., Rauch, T., Mirhosseini, H., Henk, J., Mertig, I., Wortelen, H., … Donath, M. (2016). Existence of topological nontrivial surface states in strained transition metals: W, Ta, Mo, and Nb. Physical Review B. https://doi.org/10.1103/physrevb.94.155132
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[4]
2016 | Journal Article | LibreCat-ID: 15732
Mirhosseini, H., Kiss, J., Roma, G., & Felser, C. (2016). Reducing the Schottky barrier height at the MoSe2/Mo(110) interface in thin-film solar cells: Insights from first-principles calculations. Thin Solid Films, 143–147. https://doi.org/10.1016/j.tsf.2016.03.053
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[3]
2016 | Journal Article | LibreCat-ID: 15733
Miyamoto, K., Wortelen, H., Mirhosseini, H., Okuda, T., Kimura, A., Iwasawa, H., … Donath, M. (2016). Orbital-symmetry-selective spin characterization of Dirac-cone-like state on W(110). Physical Review B. https://doi.org/10.1103/physrevb.93.161403
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[2]
2016 | Journal Article | LibreCat-ID: 15734
Ghorbani, E., Kiss, J., Mirhosseini, H., Schmidt, M., Windeln, J., Kühne, T., & Felser, C. (2016). Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations. The Journal of Physical Chemistry C, 2064–2069. https://doi.org/10.1021/acs.jpcc.5b11022
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[1]
2015 | Journal Article | LibreCat-ID: 15736
Ghorbani, E., Kiss, J., Mirhosseini, H., Roma, G., Schmidt, M., Windeln, J., … Felser, C. (2015). Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials. The Journal of Physical Chemistry C, 25197–25203. https://doi.org/10.1021/acs.jpcc.5b07639
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