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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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 .
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.
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 .
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.
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 .
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.
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.
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.
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.
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.
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.
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 .
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.
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.
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.
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.
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.
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.
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.
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 .
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.
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.
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 .
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
Menéndez-Proupin, E.;Gutiérrez, G.:
Electronic properties of bulk g-Al2O3. Physical Review B: Covering Condensed Matter and Materials Physics. 2005. Vol: 72.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.