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Castellanos Águila, J.E., Palacios, P., Conesa, J.C., Arriaga, J., Wahnón, P. (2016) Electronic band alignment at CuGaS2 chalcopyrite interfaces. Computational Materials Science, 121. 79-85 doi:10.1016/j.commatsci.2016.04.032

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Reference TypeJournal (article/letter/editorial)
TitleElectronic band alignment at CuGaS2 chalcopyrite interfaces
JournalComputational Materials Science
AuthorsCastellanos Águila, J.E.Author
Palacios, P.Author
Conesa, J.C.Author
Arriaga, J.Author
Wahnón, P.Author
Year2016 (August)Volume121
PublisherElsevier BV
DOIdoi:10.1016/j.commatsci.2016.04.032Search in ResearchGate
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Mindat Ref. ID9509823Long-form Identifiermindat:1:5:9509823:6
GUID0
Full ReferenceCastellanos Águila, J.E., Palacios, P., Conesa, J.C., Arriaga, J., Wahnón, P. (2016) Electronic band alignment at CuGaS2 chalcopyrite interfaces. Computational Materials Science, 121. 79-85 doi:10.1016/j.commatsci.2016.04.032
Plain TextCastellanos Águila, J.E., Palacios, P., Conesa, J.C., Arriaga, J., Wahnón, P. (2016) Electronic band alignment at CuGaS2 chalcopyrite interfaces. Computational Materials Science, 121. 79-85 doi:10.1016/j.commatsci.2016.04.032
In(n.d.) Computational Materials Science Vol. 121. Elsevier BV

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Castellanos Águila, J.E., Palacios, P., Conesa, J.C., Arriaga, J., Wahnón, P. (2017) Theoretical band alignment in an intermediate band chalcopyrite based material. Applied Surface Science, 424. 132-136 doi:10.1016/j.apsusc.2016.12.237
Seminóvski, Y., Palacios, P., Conesa, J.C., Wahnón, P. (2011) Thermodynamics of zinc insertion in CuGaS2:Ti, used as a modulator agent in an intermediate-band photovoltaic material. Computational and Theoretical Chemistry, 975 (1). 134-137 doi:10.1016/j.comptc.2010.12.018
Castellanos-Águila, Jesús E., Lodeiro, Lucas, Menéndez-Proupin, Eduardo, Montero-Alejo, Ana L., Palacios, Pablo, Conesa, José C., Wahnón, Perla (2020) Atomic-Scale Model and Electronic Structure of Cu2O/CH3NH3PbI3 Interfaces in Perovskite Solar Cells. ACS Applied Materials & Interfaces, 12 (40) 44648-44657 doi:10.1021/acsami.0c11187
Palacios, P., Aguilera, I., Sánchez, K., Conesa, J. C., Wahnón, P. (2008) Transition-Metal-Substituted Indium Thiospinels as Novel Intermediate-Band Materials: Prediction and Understanding of Their Electronic Properties. Physical Review Letters, 101 (4). doi:10.1103/physrevlett.101.046403
Menéndez-Proupin, E., Palacios, P., Wahnón, P., Conesa, J. C. (2014) Self-consistent relativistic band structure of theCH3NH3PbI3perovskite. Physical Review B, 90 (4) doi:10.1103/physrevb.90.045207
Palacios, P., Wahnón, P., Tablero, C. (2005) Ab initio phonon dispersion calculations for TixGanAsm and TixGanPm compounds. Computational Materials Science, 33 (1). 118-124 doi:10.1016/j.commatsci.2004.12.030
Palacios, Pablo, Aguilera, Irene, Wahnón, Perla, Conesa, José C. (2008) Thermodynamics of the Formation of Ti- and Cr-doped CuGaS2 Intermediate-band Photovoltaic Materials. The Journal of Physical Chemistry C, 112 (25). 9525-9529 doi:10.1021/jp0774185
Palacios, P., Sánchez, K., Conesa, J. C., Wahnón, P. (2006) First principles calculation of isolated intermediate bands formation in a transition metal-doped chalcopyrite-type semiconductor. physica status solidi (a), 203 (6). 1395-1401 doi:10.1002/pssa.200566179
Palacios, P., Fernández, J. J., Sánchez, K., Conesa, J. C., Wahnón, P. (2006) First-principles investigation of isolated band formation in half-metallicTixGa1−xP(x=0.3125–0.25) Physical Review B, 73 (8) doi:10.1103/physrevb.73.085206
Wahnón, P., Palacios, P., Fernández, J. J., Tablero, C. (2005) Ab-initio spin polarized electronic structure calculations for TixGanAsm photovoltaic materials. Journal of Materials Science, 40. 1383-1386 doi:10.1007/s10853-005-0570-6
Montero-Alejo, Ana L., Menéndez-Proupin, E., Hidalgo-Rojas, D., Palacios, P., Wahnón, P., Conesa, J. C. (2016) Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase. The Journal of Physical Chemistry C, 120 (15). 7976-7986 doi:10.1021/acs.jpcc.6b01013
 
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