Directorio
EDUARDO ARIEL MENENDEZ PROUPIN
Categoría
Profesor Titular de Universidad
Contacto
Correo electrónico
Departamento
Área
Física Aplicada
Centro
Docencia
Investigación
Proyectos y contratos de investigación
Mejora de la conversión de energía solar mediante procesos de excitación electrónica en dos etapas: cálculos Cuánticos (BOOSTER-QC) (ENE2013-46624-C4-2-R - Participante)
Aprovechamiento de la energía solar mediante procesos de dos fotones (SEHTOP-QC) (ENE2016-77798-C4-4-R - Participante)
Excited states of aperiodic nanotubes and functionalized quantum dots (SB2010-0119 - Investigador/a)
Study of impurities, complex defects, and grain boundaries in CdTe thin films using computer simulation at the atomic scale (1130437 - Responsable)
Synthesis, characterization and theoretical study of perovskite solar cells based on electrochemically synthesized ZnO nanorods as electron transporti (1150538 - Investigador/a)
Harnessing stacking order in layered van der Waal structures (1170921 - Investigador/a)
Study and improvement of high efficiency photovoltaic materials with atomic-scale quantum calculations (1171807 - Responsable)
Capítulos en Libros
García, Gregorio;Casanova-páez, Marcos;Palacios, Pablo;Menéndez-Proupin, Eduardo;Wahnón, Perla:
Impact of V-implantation and Si-Vacancies on Crystal Structure and Optical Absorption Properties of Silicon. Pág. 75-85. REAL SOCIEDAD ESPAÑOLA DE FÍSICA. REAL SOCIEDAD ESPAÑOLA DE FÍSICA. 2017.
Impact of V-implantation and Si-Vacancies on Crystal Structure and Optical Absorption Properties of Silicon. Pág. 75-85. REAL SOCIEDAD ESPAÑOLA DE FÍSICA. REAL SOCIEDAD ESPAÑOLA DE FÍSICA. 2017.
Menéndez-Proupin, Eduardo;Palacios, Pablo;Wahnón, Perla;Conesa, José Carlos;Montero-alejo, Ana Lilian;Beltrán -ríos, Carlos Leonardo:
Electronic structure of photovoltaic perovskites: the case of CH3NH3PbI3. Pág. 157-170. Real Sociedad Española de Física. Real Sociedad Española de Física. 2015.
Electronic structure of photovoltaic perovskites: the case of CH3NH3PbI3. Pág. 157-170. Real Sociedad Española de Física. Real Sociedad Española de Física. 2015.
Asistencia a congresos
Garrote, Alejandro;Menéndez-Proupin, E.;Cruz-Hernández, Norge:
Molecular dynamics study of hydrogen bonds in lead halide perovskites. Poster en Congreso. 33rd IUPAP Conference on Computational Physics. online. 2022
Molecular dynamics study of hydrogen bonds in lead halide perovskites. Poster en Congreso. 33rd IUPAP Conference on Computational Physics. online. 2022
Menéndez-Proupin, E.:
Simulation of Hybrid Metal Halide Perovskites. Conferencia Congreso no publicada. IX Workshop on Novel Methods for Electronic Structure Calculations. La Plata, Argentina. 2021
Simulation of Hybrid Metal Halide Perovskites. Conferencia Congreso no publicada. IX Workshop on Novel Methods for Electronic Structure Calculations. La Plata, Argentina. 2021
Menéndez-Proupin, E.:
Atomic scale model and electronic structure of Cu2O/CH3NH3PbI3 interfaces in perovskite solar cells. Conferencia Congreso no publicada. XIII International Conference on Surfaces, Materials and Vacuum 2020. Conferencia Virtual. 2020
Atomic scale model and electronic structure of Cu2O/CH3NH3PbI3 interfaces in perovskite solar cells. Conferencia Congreso no publicada. XIII International Conference on Surfaces, Materials and Vacuum 2020. Conferencia Virtual. 2020
Díaz-delgado, Rolando A.;Menéndez-Proupin, Eduardo;Carreño, María José;Díaz, Rodney;Lizana, Karina:
Experiencia de clases activas en un curso de introducción a la mecánica en el ámbito universitario. Comunicación en congreso. Primer Encuentro Virtual de Ensen¿anza de la Fi¿sica, en el marco del ¿VI Encuentro Nacional de Dida¿ctica de la Fi¿sica¿ Ensen¿anza de las Ciencias . ACTAS ONLINE. 2020
Experiencia de clases activas en un curso de introducción a la mecánica en el ámbito universitario. Comunicación en congreso. Primer Encuentro Virtual de Ensen¿anza de la Fi¿sica, en el marco del ¿VI Encuentro Nacional de Dida¿ctica de la Fi¿sica¿ Ensen¿anza de las Ciencias . ACTAS ONLINE. 2020
Menéndez-Proupin, E.:
Band alignment at interfaces in perovskite solar cells: CH3NH3PbI3|Cu2O, and CH3NH3PbI3|fullerene-derivatives. Conferencia Congreso no publicada. VIII Workshop on Novel Methods for Electronic Structure Calculations. La Plata, Argentina. 2019
Band alignment at interfaces in perovskite solar cells: CH3NH3PbI3|Cu2O, and CH3NH3PbI3|fullerene-derivatives. Conferencia Congreso no publicada. VIII Workshop on Novel Methods for Electronic Structure Calculations. La Plata, Argentina. 2019
Menéndez-Proupin, E.:
Defects and impurities of cadmium telluride. Conferencia Congreso no publicada. 18th International Conference on Density Functional Theory and its Applications. Alicante. 2019
Defects and impurities of cadmium telluride. Conferencia Congreso no publicada. 18th International Conference on Density Functional Theory and its Applications. Alicante. 2019
Menéndez-Proupin, E.:
Symmetry and thermodynamics of tellurium vacancies in cadmium telluride. Poster en Congreso. TYC 5th Energy Workshop: From Atoms to Applications. - Londres, Reino Unido. 2018
Symmetry and thermodynamics of tellurium vacancies in cadmium telluride. Poster en Congreso. TYC 5th Energy Workshop: From Atoms to Applications. - Londres, Reino Unido. 2018
Menéndez-Proupin, E.:
Hole-electron asymmetry in diffusion pathways induced by ferroelectric nanodomains in CH3NH3PbI3. Sesión no plenaria en Congreso. International Conference on Perovskite Thin Film Photovoltaics and Optoelectronic. Rennes. 2018
Hole-electron asymmetry in diffusion pathways induced by ferroelectric nanodomains in CH3NH3PbI3. Sesión no plenaria en Congreso. International Conference on Perovskite Thin Film Photovoltaics and Optoelectronic. Rennes. 2018
Menéndez-Proupin, E.:
Ferroelectric domains may lead to 2-D confinement of holes but not of electrons in CH3NH3PbI3 perovskite. Poster en Congreso. 3rd International Conference on Perovskite Solar Cells and Optoelectronics. Oxford. 2017
Ferroelectric domains may lead to 2-D confinement of holes but not of electrons in CH3NH3PbI3 perovskite. Poster en Congreso. 3rd International Conference on Perovskite Solar Cells and Optoelectronics. Oxford. 2017
Menéndez-Proupin, E.:
Theoretical study of bismuth-doped cadmium telluride. Sesión no plenaria en Congreso. APS March Meeting 2017. New Orleans (Estados Unidos). 2017
Theoretical study of bismuth-doped cadmium telluride. Sesión no plenaria en Congreso. APS March Meeting 2017. New Orleans (Estados Unidos). 2017
Menéndez-Proupin, E.;Casanova-páez, Marcos:
Density functional theory study of defects in cadmium telluride: a PBC and QM/MM comparison. Comunicación en congreso. XX Simposio Chileno de Física. Santiago, - Santiago de Chile, Chile. 2016
Density functional theory study of defects in cadmium telluride: a PBC and QM/MM comparison. Comunicación en congreso. XX Simposio Chileno de Física. Santiago, - Santiago de Chile, Chile. 2016
Ríos-gonzález, Juan A.;Menéndez-Proupin, E.:
Theoretical study of bismuth-doped CdTe. Comunicación en congreso. XX Simposio Chileno de Física. Santiago, - Santiago de Chile, Chile. 2016
Theoretical study of bismuth-doped CdTe. Comunicación en congreso. XX Simposio Chileno de Física. Santiago, - Santiago de Chile, Chile. 2016
Menéndez-Proupin, E.:
FIRST PRINCIPLES STUDY OF DEFECTS AND IMPURITIES IN CdTe. Ponencia en Congreso. Workshop on Novel Solar Cell Materials. Punta de Tralca, Chile. 2016
FIRST PRINCIPLES STUDY OF DEFECTS AND IMPURITIES IN CdTe. Ponencia en Congreso. Workshop on Novel Solar Cell Materials. Punta de Tralca, Chile. 2016
Orellana, Walter;Flores, Mauricio;Menéndez-Proupin, E.:
First-principles DFT+GW study of oxygen doped CdTe. Sesión no plenaria en Congreso. American Physical Society (APS) March Meeting. Baltimore, BALTIMORE, MD, UNITED STATES. 2016
First-principles DFT+GW study of oxygen doped CdTe. Sesión no plenaria en Congreso. American Physical Society (APS) March Meeting. Baltimore, BALTIMORE, MD, UNITED STATES. 2016
Flores, Mauricio;Menéndez-Proupin, E.;Orellana, Walter:
Beneficial effects of oxygen in the passivation of non-radiative recombination centers in CdTe. Poster en Congreso. 22nd Latin American Symposium on Solid State Physics. Puerto Varas. 2015
Beneficial effects of oxygen in the passivation of non-radiative recombination centers in CdTe. Poster en Congreso. 22nd Latin American Symposium on Solid State Physics. Puerto Varas. 2015
Menéndez-Proupin, E.;Orellana, Walter:
Theoretical study of intrinsic defects in CdTe. Comunicación en congreso. XIX Simposio Chileno de Física. Concepción, Chile. 2014
Theoretical study of intrinsic defects in CdTe. Comunicación en congreso. XIX Simposio Chileno de Física. Concepción, Chile. 2014
Artículos publicados
Garrote, Alejandro;Lodeiro, Lucas;Suresh, Rahul;Cruz-Hernández, Norge;Grau, Ricardo;Menéndez-Proupin, E.:
Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics. The Journal of Physical Chemistry C. 2023. Vol: 127. Núm: 32. Pág. 15901-15910. 10.1021/acs.jpcc.3c02376.
Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics. The Journal of Physical Chemistry C. 2023. Vol: 127. Núm: 32. Pág. 15901-15910. 10.1021/acs.jpcc.3c02376.
Montero, Ana Lilian;Barría-cáceres, Felipe;Lodeiro, Lucas;Menéndez-Proupin, E.:
Effective Interfaces between Fullerene Derivatives and CH3NH3PbI3 to Improve Perovskite Solar Cell Performance. The Journal of Physical Chemistry C. 2023. Vol: 127. Pág. 41-51. 10.1021/acs.jpcc.2c06499.
Effective Interfaces between Fullerene Derivatives and CH3NH3PbI3 to Improve Perovskite Solar Cell Performance. The Journal of Physical Chemistry C. 2023. Vol: 127. Pág. 41-51. 10.1021/acs.jpcc.2c06499.
Menéndez-Proupin, E.;Grover, Shivani;Montero, Ana Lilian;Midgley, Scott;Butler, Keith T.;Grau, Ricardo:
Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab-initio molecular dynamics study. Journal of Materials Chemistry A. 2022. Vol: 10. Pág. 9592-9603. 10.1039/D1TA10860C.
Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab-initio molecular dynamics study. Journal of Materials Chemistry A. 2022. Vol: 10. Pág. 9592-9603. 10.1039/D1TA10860C.
Tan, Bing;Reyes, Abdul Mauricio;Menéndez-Proupin, E.;Reyes-lillo, Sebastian E.;Li, Yanbo;Zhang, Zemin:
Full-Space Potential Gradient Driven Charge Migration Inside BiFeO3 Photocathode. ACS energy letters. 2022. Vol: 7. Pág. 3492-3499. 10.1021/acsenergylett.2c01750.
Full-Space Potential Gradient Driven Charge Migration Inside BiFeO3 Photocathode. ACS energy letters. 2022. Vol: 7. Pág. 3492-3499. 10.1021/acsenergylett.2c01750.
Trallero-giner, C.;Menéndez-Proupin, E.;Suárez Morell, Eric;Pérez-álvarez, R.;Santiago-pérez, Darío G.:
Phenomenological model for long-wavelength optical modes in transition metal dichalcogenide monolayer. Physical Review B: Covering Condensed Matter and Materials Physics. 2021. Vol: 103. 10.1103/PhysRevB.103.235424.
Phenomenological model for long-wavelength optical modes in transition metal dichalcogenide monolayer. Physical Review B: Covering Condensed Matter and Materials Physics. 2021. Vol: 103. 10.1103/PhysRevB.103.235424.
Vargas, B.;Torres-cadena, R.;Reyes-castillo, D. T.;Rodríguez-hernández, J.;Gembicky, M.;Menéndez-Proupin, E.;Solis-ibarra, D.:
Chemical Diversity in Lead-Free, Layered Double Perovskites: A Combined Experimental and Computational Approach. Chemistry of Materials. 2020. Vol: 32. Pág. 424-429. 10.1021/acs.chemmater.9b04021.
Chemical Diversity in Lead-Free, Layered Double Perovskites: A Combined Experimental and Computational Approach. Chemistry of Materials. 2020. Vol: 32. Pág. 424-429. 10.1021/acs.chemmater.9b04021.
Ríos-gonzález, J. A.;Menéndez-Proupin, E.;Peña, J. L.:
Bismuth Doping of CdTe: The Effect of Spin-Orbit Coupling. Physica Status Solidi (B): Basic Research. 2020. Vol: 257. 10.1002/pssb.201900693.
Bismuth Doping of CdTe: The Effect of Spin-Orbit Coupling. Physica Status Solidi (B): Basic Research. 2020. Vol: 257. 10.1002/pssb.201900693.
Ríos-gonzález, J. A.;Mis-fernández, R.;Camacho-espinoza, E.;Riech, I.;Menéndez-Proupin, E.;Flores, M. A.;Orellana, W.;Peña, J. L.:
Inducing a level inside of CdTe bandgap doping with Sn using a co-sublimation technique by CSS. Materials Science in Semiconductor Processing. 2020. Vol: 107. 10.1016/j.mssp.2019.104836.
Inducing a level inside of CdTe bandgap doping with Sn using a co-sublimation technique by CSS. Materials Science in Semiconductor Processing. 2020. Vol: 107. 10.1016/j.mssp.2019.104836.
Castellanos-águila, Jesús E.;Lodeiro, Lucas;Menéndez-Proupin, Eduardo;Montero-alejo, Ana L.;Palacios, Pablo;Conesa, José C.;Wahnón, Perla:
Atomic scale model and electronic structure of Cu2O/CH3NH3PbI3 interfaces in perovskite solar cells. ACS Applied Materials and Interfaces. 2020. Vol: 12. Pág. 44648-44657. 10.1021/acsami.0c11187.
Atomic scale model and electronic structure of Cu2O/CH3NH3PbI3 interfaces in perovskite solar cells. ACS Applied Materials and Interfaces. 2020. Vol: 12. Pág. 44648-44657. 10.1021/acsami.0c11187.
Lodeiro, Lucas;Barría-cáceres, Felipe;Jiménez, Karla;Contreras, Renato;Montero-alejo, Ana L.;Menéndez-Proupin, Eduardo:
Methodological Issues in First-Principle Calculations of CH3NH3PbI3 Perovskite Surfaces: Quantum Confinement and Thermal Motion. ACS Omega. 2020. Vol: 5. Pág. 29477-29491. 10.1021/acsomega.0c04420.
Methodological Issues in First-Principle Calculations of CH3NH3PbI3 Perovskite Surfaces: Quantum Confinement and Thermal Motion. ACS Omega. 2020. Vol: 5. Pág. 29477-29491. 10.1021/acsomega.0c04420.
Menéndez-Proupin, Eduardo;Beltrán-ríos, Carlos L.;Wahnón, Perla;Tempelaar, Roel:
Erratum to Nonhydrogenic exciton spectrum in perovskite CH3NH3PbI3 (Phys. Status Solidi RRL 9, 559¿563 (2015)). Physica Status Solidi - Rapid Research Letters. 2019. Vol: 13. 10.1002/pssr.201900075.
Erratum to Nonhydrogenic exciton spectrum in perovskite CH3NH3PbI3 (Phys. Status Solidi RRL 9, 559¿563 (2015)). Physica Status Solidi - Rapid Research Letters. 2019. Vol: 13. 10.1002/pssr.201900075.
Menéndez-Proupin, E.;Casanova-páez, M.;Montero-alejo, A. L.;Flores, Mauricio A. ;Orellana, W.:
Symmetry and thermodynamics of tellurium vacancies in cadmium telluride. Physica B: Condensed Matter. 2019. Vol: 568. Pág. 81-87. 10.1016/j.physb.2019.01.013.
Symmetry and thermodynamics of tellurium vacancies in cadmium telluride. Physica B: Condensed Matter. 2019. Vol: 568. Pág. 81-87. 10.1016/j.physb.2019.01.013.
Orellana, Walter;Menéndez-Proupin, Eduardo;Flores, Mauricio A.:
Energetics and Electronic Properties of Interstitial Chlorine in CdTe. Physica Status Solidi (B): Basic Research. 2019. Vol: 256. 10.1002/pssb.201800219.
Energetics and Electronic Properties of Interstitial Chlorine in CdTe. Physica Status Solidi (B): Basic Research. 2019. Vol: 256. 10.1002/pssb.201800219.
Orellana, Walter;Menéndez-Proupin, Eduardo;Flores, Mauricio A.:
Self-compensation in chlorine doped CdTe. Scientific Reports. 2019. Vol: 9. 10.1038/s41598-019-45625-x.
Self-compensation in chlorine doped CdTe. Scientific Reports. 2019. Vol: 9. 10.1038/s41598-019-45625-x.
García, Gregorio;Palacios, P.;Menéndez-Proupin, E.;Montero-alejo, A. L.;Conesa, José;Wahnón, P.:
Influence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: a first-principles insight . Scientific Reports. 2018. Vol: 8. 10.1038/s41598-018-20851-x.
Influence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: a first-principles insight . Scientific Reports. 2018. Vol: 8. 10.1038/s41598-018-20851-x.
Velasco-soto, Diego;Menéndez-Proupin, Eduardo;Realyvazquez-guevara, Rebeca;Matutes-aquino, José Andrés:
Electronic and thermal properties of non-stoichiometric and doped cobaltum antimonide. Materials Research Express. 2018. Vol: 5. 10.1088/2053-1591/aaafb6.
Electronic and thermal properties of non-stoichiometric and doped cobaltum antimonide. Materials Research Express. 2018. Vol: 5. 10.1088/2053-1591/aaafb6.
Casanova-pa¿ez, M.;Menéndez-Proupin, E.:
Density functional theory study of defects in cadmium telluride: a PBC and QM/MM comparison. Journal of Physics: Conference Series. 2018. Vol: 1043. 10.1088/1742-6596/1043/1/012043.
Density functional theory study of defects in cadmium telluride: a PBC and QM/MM comparison. Journal of Physics: Conference Series. 2018. Vol: 1043. 10.1088/1742-6596/1043/1/012043.
Ríos-gonzález, J. A.;Menéndez-Proupin, E.;Peña, J. L. :
Theoretical study of bismuth-doped CdTe. Journal of Physics: Conference Series. 2018. Vol: 1043. 10.1088/1742-6596/1043/1/012044.
Theoretical study of bismuth-doped CdTe. Journal of Physics: Conference Series. 2018. Vol: 1043. 10.1088/1742-6596/1043/1/012044.
Flores, Mauricio A.;Orellana, Walter;Menéndez-Proupin, Eduardo:
Accuracy of the Heyd-Scuseria-Ernzerhof hybrid functional to describe many-electron interactions and charge localization in semiconductors. Physical Review B: Condensed Matter and Materials Physics. 2018. Vol: 98. 10.1103/PhysRevB.98.155131.
Accuracy of the Heyd-Scuseria-Ernzerhof hybrid functional to describe many-electron interactions and charge localization in semiconductors. Physical Review B: Condensed Matter and Materials Physics. 2018. Vol: 98. 10.1103/PhysRevB.98.155131.
Vargas, B.;López, N.;Olalde-velasco, P.;Solís-ibarra, D.;Torres-cadena, R.;Rodríguez-hernández, J.;Gembicky, M.;Xie, H.;Jiménez-mier, J.;Liu, Y.-s.;Menéndez-Proupin, E.;Dunbar, K. R.:
Optical, Electronic, and Magnetic Engineering of <111> Layered Halide Perovskites. Chemistry of Materials. 2018. Vol: 30. Pág. 5315-5321. 10.1021/acs.chemmater.8b02099.
Optical, Electronic, and Magnetic Engineering of <111> Layered Halide Perovskites. Chemistry of Materials. 2018. Vol: 30. Pág. 5315-5321. 10.1021/acs.chemmater.8b02099.
Montero-alejo, A. L.;Menéndez-Proupin, E.;Palacios, P. ;Wahnón, P. ;Conesa, J. C.:
Ferroelectric Domains May Lead to 2-D Confinement of Holes but Not of Electrons in CH3NH3PbI3 Perovskite. The Journal of Physical Chemistry C. 2017. Vol: 121. Pág. 26698-26705. 10.1021/acs.jpcc.7b09625.
Ferroelectric Domains May Lead to 2-D Confinement of Holes but Not of Electrons in CH3NH3PbI3 Perovskite. The Journal of Physical Chemistry C. 2017. Vol: 121. Pág. 26698-26705. 10.1021/acs.jpcc.7b09625.
Flores, Mauricio A.;Menéndez-Proupin, Eduardo;Orellana, Walter:
Sn-doped CdTe as promising in ermediate-band photovoltaic material. Journal of Physics D: Applied Physics. 2017. Vol: 50. 10.1088/1361-6463/50/3/035501 .
Sn-doped CdTe as promising in ermediate-band photovoltaic material. Journal of Physics D: Applied Physics. 2017. Vol: 50. 10.1088/1361-6463/50/3/035501 .
Flores, M. A.;Orellana, W.;Menéndez-Proupin, E.:
Self-compensation in phosphorus-doped CdTe. Physical Review B: Condensed Matter and Materials Physics. 2017. Vol: 96. 10.1103/PhysRevB.96.134115.
Self-compensation in phosphorus-doped CdTe. Physical Review B: Condensed Matter and Materials Physics. 2017. Vol: 96. 10.1103/PhysRevB.96.134115.
García, Gregorio;Casanova-páez, M.;Palacios, P.;Menéndez-Proupin, E.;Wahnón, P.:
First principle study of V-implantation in highly-doped silicon materials. Computational Materials Science. 2017. Vol: 136. Pág. 207-215. 10.1016/j.commatsci.2017.05.005 .
First principle study of V-implantation in highly-doped silicon materials. Computational Materials Science. 2017. Vol: 136. Pág. 207-215. 10.1016/j.commatsci.2017.05.005 .
Flores, Mauricio A.;Menéndez-Proupin, Eduardo:
Spin-orbit coupling effects in gold clusters: The case of Au13. Journal of Physics: Conference Series. 2016. Vol: 720. 10.1088/1742-6596/720/1/012034.
Spin-orbit coupling effects in gold clusters: The case of Au13. Journal of Physics: Conference Series. 2016. Vol: 720. 10.1088/1742-6596/720/1/012034.
Flores, M. A. ;Orellana, W.;Menéndez-Proupin, E.:
First-principles DFT+GW study of oxygen doped CdTe. Physical Review B: Condensed Matter and Materials Physics. 2016. Vol: 93. 10.1103/PhysRevB.93.184103.
First-principles DFT+GW study of oxygen doped CdTe. Physical Review B: Condensed Matter and Materials Physics. 2016. Vol: 93. 10.1103/PhysRevB.93.184103.
Montero-alejo, A. L.;Menéndez-Proupin, E.;Hidalgo-rojas, D.;Palacios, P.;Wahnón, P. ;Conesa, J. C.:
Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase. The Journal of Physical Chemistry C. 2016. Vol: 120. Pág. 7976-7986. 10.1021/acs.jpcc.6b01013 .
Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase. The Journal of Physical Chemistry C. 2016. Vol: 120. Pág. 7976-7986. 10.1021/acs.jpcc.6b01013 .
Flores, Mauricio A.;Menéndez-Proupin, Eduardo:
Sn doped CdTe as candidate for intermediate-band solar cells: A first principles DFT+GW study. Journal of Physics: Conference Series. 2016. Vol: 720. 10.1088/1742-6596/720/1/012033.
Sn doped CdTe as candidate for intermediate-band solar cells: A first principles DFT+GW study. Journal of Physics: Conference Series. 2016. Vol: 720. 10.1088/1742-6596/720/1/012033.
Menéndez-Proupin, E.;Orellana, W.:
Theoretical study of intrinsic defects in CdTe. Journal of Physics: Conference Series. 2016. Vol: 720. 10.1088/1742-6596/720/1/012031.
Theoretical study of intrinsic defects in CdTe. Journal of Physics: Conference Series. 2016. Vol: 720. 10.1088/1742-6596/720/1/012031.
Flores, M. A. ;Orellana, W.;Menéndez-Proupin, E.:
First-principles DFT+GW study of the Te antisite in CdTe. Computational Materials Science. 2016. Vol: 125. Pág. 176-182. 10.1016/j.commatsci.2016.08.044.
First-principles DFT+GW study of the Te antisite in CdTe. Computational Materials Science. 2016. Vol: 125. Pág. 176-182. 10.1016/j.commatsci.2016.08.044.
Menéndez-Proupin, E.;Orellana, W.:
Tellurium vacancy in cadmium telluride revisited: Size effects in the electronic properties. Physica Status Solidi (B): Basic Research. 2015. Vol: 252. Pág. 2649-2656. 10.1002/pssb.201552357.
Tellurium vacancy in cadmium telluride revisited: Size effects in the electronic properties. Physica Status Solidi (B): Basic Research. 2015. Vol: 252. Pág. 2649-2656. 10.1002/pssb.201552357.
Menéndez-Proupin, E.;Palacios, P.;Wahnón, P.:
Electronic and atomic structure of complex defects in Al- and Ga-highly doped ZnO films. Materials Chemistry and Physics. 2015. Vol: 60. Pág. 420-428. 10.1016/j.matchemphys.2015.05.012.
Electronic and atomic structure of complex defects in Al- and Ga-highly doped ZnO films. Materials Chemistry and Physics. 2015. Vol: 60. Pág. 420-428. 10.1016/j.matchemphys.2015.05.012.
Aragón, F. H. ;Coaquira, J. A. H. ;Villegas-lelovsky, L.;Da Silva, S. W. ;Cesar, D. F.;Nagamine, L. C. C. M. ;Cohen, R. ;Menéndez-Proupin, E.;Morais, P. C. :
Evolution of the doping regimes in the Al-doped SnO2 nanoparticles prepared by a polymer precursor method. Journal of Physics: Condensed Matter. 2015. Vol: 27. 10.1088/0953-8984/27/9/095301.
Evolution of the doping regimes in the Al-doped SnO2 nanoparticles prepared by a polymer precursor method. Journal of Physics: Condensed Matter. 2015. Vol: 27. 10.1088/0953-8984/27/9/095301.
Menéndez-Proupin, E.;Beltrán-ríos, Carlos L.;Wahnón, P.:
Non hydrogenic exciton spectrum in perovskite CH3NH3PbI3. Physica Status Solidi - Rapid Research Letters. 2015. Vol: 9. Pág. 559-563. 10.1002/pssr.201510265 .
Non hydrogenic exciton spectrum in perovskite CH3NH3PbI3. Physica Status Solidi - Rapid Research Letters. 2015. Vol: 9. Pág. 559-563. 10.1002/pssr.201510265 .
Menéndez-Proupin, E.;Amézaga, Alexis;Cruz-Hernández, Norge:
Electronic structure of CdTe using GGA+USIC. Physica B: Condensed Matter. 2014. Vol: 452. Pág. 119-123. 10.1016/j.physb.2014.07.015.
Electronic structure of CdTe using GGA+USIC. Physica B: Condensed Matter. 2014. Vol: 452. Pág. 119-123. 10.1016/j.physb.2014.07.015.
Menéndez-Proupin, E.;Delgado, Alain;Montero-alejo, Ana L.;García-de La Vega, J. M.:
The absorption spectrum of C60 in n-hexane solution revisited: fitted experiment and TDDFT/PCM calculations. Chemical Physics Letters. 2014. Vol: 593. Pág. 72-76. 10.1016/j.cplett.2013.12.067.
The absorption spectrum of C60 in n-hexane solution revisited: fitted experiment and TDDFT/PCM calculations. Chemical Physics Letters. 2014. Vol: 593. Pág. 72-76. 10.1016/j.cplett.2013.12.067.
Pandey, B. P. ;Kumar, V.;Menéndez-Proupin, E.:
Elastic constants and Debye temperature of wz-AlN and wz-GaN semiconductors under high pressure from first-principles. Pramana. 2014. Vol: 83. Pág. 413-425. 10.1007/s12043-014-0785-7.
Elastic constants and Debye temperature of wz-AlN and wz-GaN semiconductors under high pressure from first-principles. Pramana. 2014. Vol: 83. Pág. 413-425. 10.1007/s12043-014-0785-7.
Menéndez-Proupin, E.;Palacios, P. ;Wahnón, P. ;Conesa, J. C. :
Self-consistent relativistic band structure of the CH3NH3PbI3 perovskite. Physical Review B: Condensed Matter and Materials Physics. 2014. Vol: 90. 10.1103/PhysRevB.90.045207.
Self-consistent relativistic band structure of the CH3NH3PbI3 perovskite. Physical Review B: Condensed Matter and Materials Physics. 2014. Vol: 90. 10.1103/PhysRevB.90.045207.
Montero-alejo, A. L.;Menéndez-Proupin, E.;Fuentes, M. E.;Delgado, A.;Montfors, F.-p.;Montero, L. A.;García De La Vega, J. M. :
Electronic excitations of C60 aggregates. Physical Chemistry Chemical Physics. 2012. Vol: 14. Pág. 13058-13066. 10.1039/C2CP41979C.
Electronic excitations of C60 aggregates. Physical Chemistry Chemical Physics. 2012. Vol: 14. Pág. 13058-13066. 10.1039/C2CP41979C.
Margapoti, E.;Bougerol, C.;Marques, G. E.;Alves, Fabrizio M.;Mahapatra, S.;López-richard, V.;Worschech, L.;Brunner, K.;Qu, Fanyao;Destefani, C.;Menéndez-Proupin, E.:
Paramagnetic shift in thermally annealed CdxZn1-xSe quantum dots. New Journal of Physics. 2012. Vol: 14. 10.1088/1367-2630/14/4/043038 .
Paramagnetic shift in thermally annealed CdxZn1-xSe quantum dots. New Journal of Physics. 2012. Vol: 14. 10.1088/1367-2630/14/4/043038 .
Menéndez-Proupin, E.;Montero-alejo, A. L. ;García -de La Vega, J. M.:
Ultrathin carbon nanotube with single, double and triple bonds. Physical Review Letters. 2012. Vol: 109. 10.1103/PhysRevLett.109.105501.
Ultrathin carbon nanotube with single, double and triple bonds. Physical Review Letters. 2012. Vol: 109. 10.1103/PhysRevLett.109.105501.
Ortega-García, Yanaris;Cruz-Hernández, Norge;Menéndez-Proupin, E.;Graciani-Alonso, Jesus;Fdez. Sanz, Javier:
NITROGEN/GOLD CODOPING OF THE TIO2(101) ANATASE SURFACE. A THEORETICAL STUDY BASED ON DFT CALCULATIONS.. Physical Chemistry Chemical Physics. 2011. Vol: 13. Núm: 23. Pág. 11340-11350. 10.1039/c0cp02470h.
NITROGEN/GOLD CODOPING OF THE TIO2(101) ANATASE SURFACE. A THEORETICAL STUDY BASED ON DFT CALCULATIONS.. Physical Chemistry Chemical Physics. 2011. Vol: 13. Núm: 23. Pág. 11340-11350. 10.1039/c0cp02470h.
Menéndez-Proupin, E.;Cervantes-rodríguez, S.;Osorio-pulgar, R.;Franco-cisterna, M.;Camacho-montes, H.;Fuentes, M. E.:
Computer simulation of elastic constants of hydroxyapatite and fluorapatite. Journal of the Mechanical Behavior of Biomedical Materials. 2011. Vol: 4. Pág. 1011-1020. 10.1016/j.jmbbm.2011.03.001 .
Computer simulation of elastic constants of hydroxyapatite and fluorapatite. Journal of the Mechanical Behavior of Biomedical Materials. 2011. Vol: 4. Pág. 1011-1020. 10.1016/j.jmbbm.2011.03.001 .
Lizárraga, R.;Holmström, E.;Amézaga, A.;Bock, N.;Peery, T.;Menéndez-Proupin, E.;Giannozzi, P.:
Core-level shift analysis of amorphous CdTeOx materials. Journal of Materials Science. 2010. Vol: 45. Pág. 5071-5076. 10.1007/s10853-010-4419-2.
Core-level shift analysis of amorphous CdTeOx materials. Journal of Materials Science. 2010. Vol: 45. Pág. 5071-5076. 10.1007/s10853-010-4419-2.
Montero-alejo, Ana Lilian;Fuentes, M. E.;Menéndez-Proupin, E.;Orellana, W.;Bunge, C. F.;Montero, L. A.;García De La Vega, J. M.:
Approximate quantum mechanical method for describing excitations and related properties of finite single-walled carbon nanotubes. Physical Review B: Condensed Matter and Materials Physics. 2010. Vol: 81. 10.1103/PhysRevB.81.235409.
Approximate quantum mechanical method for describing excitations and related properties of finite single-walled carbon nanotubes. Physical Review B: Condensed Matter and Materials Physics. 2010. Vol: 81. 10.1103/PhysRevB.81.235409.
Amézaga, A.;Holmström, E.;Lizárraga, R.;Menéndez-Proupin, E.;Bartolo-pérez, P.;Giannozzi, P.:
Quantitative local environment characterization in amorphous oxides. Physical Review B: Condensed Matter and Materials Physics. 2010. Vol: 81. 10.1103/PhysRevB.81.014210.
Quantitative local environment characterization in amorphous oxides. Physical Review B: Condensed Matter and Materials Physics. 2010. Vol: 81. 10.1103/PhysRevB.81.014210.
Loyola, C.;Menéndez-Proupin, E.;Gutiérrez, G.:
Atomistic study of vibrational properties of gamma-Al2O3. Journal of Materials Science. 2010. Vol: 45. Pág. 5094-5100. 10.1007/s10853-010-4477-5.
Atomistic study of vibrational properties of gamma-Al2O3. Journal of Materials Science. 2010. Vol: 45. Pág. 5094-5100. 10.1007/s10853-010-4477-5.
Margapoti, E.;Bougerol, C.;Alves, Fabrizio M.;Lopez-richard, V.;Destefani, C.;Marques, G. E.;Menéndez-Proupin, E.;Qu, Fanyao;Mahapatra, S.;Brunner, K.:
Characterization of spin-state tuning in thermally annealed semiconductor quantum dot,. Physical Review B: Condensed Matter and Materials Physics. 2010. Vol: 82. 10.1103/PhysRevB.82.205318.
Characterization of spin-state tuning in thermally annealed semiconductor quantum dot,. Physical Review B: Condensed Matter and Materials Physics. 2010. Vol: 82. 10.1103/PhysRevB.82.205318.
Gutiérrez, G.;Menéndez-Proupin, E.;Loyola, C.;Peralta, J.;Davis, Sergio:
Computer simulation study of amorphous compounds: structural and vibrational properties. Journal of Materials Science. 2010. Vol: 45. Pág. 5124-5134. 10.1007/s10853-010-4579-0.
Computer simulation study of amorphous compounds: structural and vibrational properties. Journal of Materials Science. 2010. Vol: 45. Pág. 5124-5134. 10.1007/s10853-010-4579-0.
Menéndez-Proupin, E.;Giannozzi, P.;Peralta, J.;Gutiérrez, G.:
Ab initio molecular dynamics study of amorphous CdTeOx alloys: Structural properties. Physical Review B: Condensed Matter and Materials Physics. 2009. Vol: 79. 10.1103/PhysRevB.79.014205.
Ab initio molecular dynamics study of amorphous CdTeOx alloys: Structural properties. Physical Review B: Condensed Matter and Materials Physics. 2009. Vol: 79. 10.1103/PhysRevB.79.014205.
Singh, A. K. ;Liermann, H.-p.;Akayama, Y.;Saxena, S. K.;Menéndez-Proupin, E.:
Strength of polycrystalline coarse-grained platinum to 330 GPa and of nanocrystalline platinum up to 70 GPa from high-pressure x-ray diffraction data. Journal of Applied Physics. 2008. Vol: 103. 10.1063/1.2891424.
Strength of polycrystalline coarse-grained platinum to 330 GPa and of nanocrystalline platinum up to 70 GPa from high-pressure x-ray diffraction data. Journal of Applied Physics. 2008. Vol: 103. 10.1063/1.2891424.
Menéndez-Proupin, E.;Singh, A. K.:
Ab initio calculations of elastic properties of compressed Pt. Physical Review B: Condensed Matter and Materials Physics. 2007. Vol: 76. 10.1103/PhysRevB.76.054117.
Ab initio calculations of elastic properties of compressed Pt. Physical Review B: Condensed Matter and Materials Physics. 2007. Vol: 76. 10.1103/PhysRevB.76.054117.
Gutiérrez, Gonzalo;Menéndez-Proupin, Eduardo;Singh, Anil K.:
Elastic properties of the bcc structure of Bismuth at high pressure. Journal of Applied Physics. 2006. Vol: 99.
Elastic properties of the bcc structure of Bismuth at high pressure. Journal of Applied Physics. 2006. Vol: 99.
Singh, Anil K.;Menéndez-Proupin, Eduardo;Gutiérrez, Gonzalo;Akahama, Y.;Kawamura, H.:
Nonhydrostatic compression of bismuth to 222 GPa: some constraints on elasticity of the bcc-phase. Journal of Physics and Chemistry of Solids. 2006. Vol: 67. Pág. 2192-2196.
Nonhydrostatic compression of bismuth to 222 GPa: some constraints on elasticity of the bcc-phase. Journal of Physics and Chemistry of Solids. 2006. Vol: 67. Pág. 2192-2196.
Orellana, W.;Gutiérrez, G.;Menéndez-Proupin, E.;Rogan, J.;García, G.;Manoun, B.;Saxena, S.:
Ab initio study of Ti3Si0.5Ge0.5C2 under pressure. Journal of Physics and Chemistry of Solids. 2006. Vol: 67. Pág. 2149-2153.
Ab initio study of Ti3Si0.5Ge0.5C2 under pressure. Journal of Physics and Chemistry of Solids. 2006. Vol: 67. Pág. 2149-2153.
Menéndez-Proupin, E.;Cabo-bizet, N.;Trallero-giner, C.:
Exciton-phonon complexes and optical properties in CdSe nanocrystals. Journal of Physics: Condensed Matter. 2006. Vol: 18. Pág. 7283-7298.
Exciton-phonon complexes and optical properties in CdSe nanocrystals. Journal of Physics: Condensed Matter. 2006. Vol: 18. Pág. 7283-7298.
Cabo, Alejandro;Claro, Francisco;Menéndez-Proupin, Eduardo;Cruz-Hernández, Norge;Fdez. Sanz, Javier:
Proposal for a modified Møller-Plesset perturbation theory. Physical Review A. 2006. Vol: 73. 10.1103/PhysRevA.73.012510.
Proposal for a modified Møller-Plesset perturbation theory. Physical Review A. 2006. Vol: 73. 10.1103/PhysRevA.73.012510.
Menéndez-Proupin, E.;Gutiérrez, G.:
Electronic properties of bulk g-Al2O3. Physical Review B: Covering Condensed Matter and Materials Physics. 2005. Vol: 72.
Electronic properties of bulk g-Al2O3. Physical Review B: Covering Condensed Matter and Materials Physics. 2005. Vol: 72.
Menéndez-Proupin, E.;Gutiérrez, G.;Palmero, E.;Peña, J. L.:
Electronic Structure of binary and ternary components of CdTe:O thin films. Physica Status Solidi C: Current Topics in Solid State Physics. 2004. Vol: 1. Núm: S1. Pág. S104-S107. 10.1002/pssc.200304873.
Electronic Structure of binary and ternary components of CdTe:O thin films. Physica Status Solidi C: Current Topics in Solid State Physics. 2004. Vol: 1. Núm: S1. Pág. S104-S107. 10.1002/pssc.200304873.
Menéndez-Proupin, E.;Trallero-giner, C.:
Electric-field and exciton structure in CdSe nanocrystals. Physical Review B: Covering Condensed Matter and Materials Physics. 2004. Vol: 69.
Electric-field and exciton structure in CdSe nanocrystals. Physical Review B: Covering Condensed Matter and Materials Physics. 2004. Vol: 69.
Menéndez-Proupin, E.;Trallero-giner, C.:
Stark effect in CdSe nanocrystals. Physica Status Solidi C: Current Topics in Solid State Physics. 2004. Vol: 1. Núm: S1. Pág. S42-S45. 10.1002/pssc.200304872.
Stark effect in CdSe nanocrystals. Physica Status Solidi C: Current Topics in Solid State Physics. 2004. Vol: 1. Núm: S1. Pág. S42-S45. 10.1002/pssc.200304872.
Menéndez-Proupin, E.:
Comment on "The effects of electric field on the electronic structure of a semiconductor quantum dot" [J. Appl. Phys. 84, 1454 (1998)]. Journal of Applied Physics. 2004. Vol: 95. Pág. 3223-3224.
Comment on "The effects of electric field on the electronic structure of a semiconductor quantum dot" [J. Appl. Phys. 84, 1454 (1998)]. Journal of Applied Physics. 2004. Vol: 95. Pág. 3223-3224.
Menéndez-Proupin, E.;Gutiérrez, G.;Palmero, E.;Peña-chapa, J. L. :
Electronic structure of crystalline binary and ternary Cd-Te-O compounds. Physical Review B: Covering Condensed Matter and Materials Physics. 2004. Vol: 70.
Electronic structure of crystalline binary and ternary Cd-Te-O compounds. Physical Review B: Covering Condensed Matter and Materials Physics. 2004. Vol: 70.
Delgado, Alain;González, Augusto;Menéndez-Proupin, E.:
Resonant Raman scattering off neutral quantum dots. Physical Review B: Covering Condensed Matter and Materials Physics. 2002. Vol: 65.
Resonant Raman scattering off neutral quantum dots. Physical Review B: Covering Condensed Matter and Materials Physics. 2002. Vol: 65.
Menéndez-Proupin, E.;Cabo-bizet, Nana:
Resonance Raman scattering in semiconductor quantum dots: Adiabatic versus time-dependent perturbation theory. Physical Review B: Covering Condensed Matter and Materials Physics. 2002. Vol: 66.
Resonance Raman scattering in semiconductor quantum dots: Adiabatic versus time-dependent perturbation theory. Physical Review B: Covering Condensed Matter and Materials Physics. 2002. Vol: 66.
Iribarren, A.;Menéndez-Proupin, E.;Caballero-briones, F.;Castro-rodríguez, R.;Peña, J. L. :
Compositional Mixture Probabilistic Model in the Formation of Semiconductor Materials obtained by Random Grow Techniques. Modern Physics Letters B. 2001. Vol: 15. Pág. 643-646.
Compositional Mixture Probabilistic Model in the Formation of Semiconductor Materials obtained by Random Grow Techniques. Modern Physics Letters B. 2001. Vol: 15. Pág. 643-646.
Martínez, Danny M.;Menéndez-Proupin, Eduardo:
Estudio e implementación de métodos computacionales para la resolución numérica de ecuaciones en derivadas parciales. Revista Cubana de Física. 2001. Vol: 18. Pág. 129-137.
Estudio e implementación de métodos computacionales para la resolución numérica de ecuaciones en derivadas parciales. Revista Cubana de Física. 2001. Vol: 18. Pág. 129-137.
Rodríguez-suárez, R.;Menéndez-Proupin, E.;Trallero-giner, C.;Cardona, M.:
Multiphonon resonant Raman scattering in nanocrystals. Physical Review B: Covering Condensed Matter and Materials Physics. 2000. Vol: 62. Pág. 11006-11016. 10.1103/PhysRevB.62.11006.
Multiphonon resonant Raman scattering in nanocrystals. Physical Review B: Covering Condensed Matter and Materials Physics. 2000. Vol: 62. Pág. 11006-11016. 10.1103/PhysRevB.62.11006.
González, A.;Menéndez-Proupin, E.:
Interband absorption and luminescence in small quantum dots under strong magnetic fields. Physica. E, Low-Dimensional Systems and Nanostructures. 2000. Vol: 8. Pág. 333-341.
Interband absorption and luminescence in small quantum dots under strong magnetic fields. Physica. E, Low-Dimensional Systems and Nanostructures. 2000. Vol: 8. Pág. 333-341.
Trallero-giner, C.;Menéndez-Proupin, E.;Ulloa, S. E.:
Resonant Raman Scattering in Asymmetric Quantum Disks. Physica Status Solidi (B): Basic Research. 1999. Vol: 215. Pág. 459-463.
Resonant Raman Scattering in Asymmetric Quantum Disks. Physica Status Solidi (B): Basic Research. 1999. Vol: 215. Pág. 459-463.
Iribarren, A. ;Menéndez-Proupin, E.;Caballero-briones, F.;Castro-rodríguez, R.;Peña, J. L.:
Experimental Evidency of Compositional Mixture in CdTeO Grown by Radio Frequency Sputtering. Journal of Applied Physics. 1999. Vol: 86. Pág. 4688-4690.
Experimental Evidency of Compositional Mixture in CdTeO Grown by Radio Frequency Sputtering. Journal of Applied Physics. 1999. Vol: 86. Pág. 4688-4690.
Menéndez-Proupin, E.;Trallero-giner, C.;Ulloa, S. E.:
Resonant Raman Scattering in Self Assembled Quantum Dots. Physical Review B: Covering Condensed Matter and Materials Physics. 1999. Vol: 60. Pág. 16747-16757. 10.1103/PhysRevB.60.16747.
Resonant Raman Scattering in Self Assembled Quantum Dots. Physical Review B: Covering Condensed Matter and Materials Physics. 1999. Vol: 60. Pág. 16747-16757. 10.1103/PhysRevB.60.16747.
Menéndez-Proupin, E.;Peña, J. L.;Trallero-giner, C.:
Exciton and Confinement Potential Effects on the Resonant Raman Scattering in Quantum Dots. Semiconductor Science and Technology. 1998. Vol: 13. Pág. 871-875.
Exciton and Confinement Potential Effects on the Resonant Raman Scattering in Quantum Dots. Semiconductor Science and Technology. 1998. Vol: 13. Pág. 871-875.
Trallero-giner, C.;Debernardi, A.;Cardona, M.;Menéndez-Proupin, E.;Ekimov, A. I.:
Optical Vibrons in CdSe Dots and Dispersion Relation of the Bulk Material. Physical Review B: Covering Condensed Matter and Materials Physics. 1998. Vol: 57. Pág. 4664-4669. 10.1103/PhysRevB.57.4664.
Optical Vibrons in CdSe Dots and Dispersion Relation of the Bulk Material. Physical Review B: Covering Condensed Matter and Materials Physics. 1998. Vol: 57. Pág. 4664-4669. 10.1103/PhysRevB.57.4664.
Menéndez, E.;Trallero-giner, C.;Cardona, M.:
Vibrational Resonant Raman Scattering in Spherical Quantum dots: Exciton Effects. Physica Status Solidi (B): Basic Research. 1997. Vol: 199. Pág. 81-94. 10.1002/1521-3951(199701)199:1<81::AID-PSSB81>3.0.CO;2-W.
Vibrational Resonant Raman Scattering in Spherical Quantum dots: Exciton Effects. Physica Status Solidi (B): Basic Research. 1997. Vol: 199. Pág. 81-94. 10.1002/1521-3951(199701)199:1<81::AID-PSSB81>3.0.CO;2-W.
Menéndez, E.;Trallero-giner, C.;Casado-Revuelta, Eduardo:
Impurity Absorption in Spherical Quantum Dots. AIP Conference Proceedings. 1996. Vol: 378. Pág. 129-139. 10.1063/1.51198.
Impurity Absorption in Spherical Quantum Dots. AIP Conference Proceedings. 1996. Vol: 378. Pág. 129-139. 10.1063/1.51198.
