Inicio » Publicaciones » Artículos en Revistas (Research papers)

Artículos en Revistas (Research papers)

      • 2023
      • Chfii, H.; Bouich, A.; Andrio, A.; Torres, J.C.; Soucase, B.M.; Palacios, P.; Lefdil, M.A.; Compañ, V. The Structural and Electrochemical Properties of CuCoO2 Crystalline Nanopowders and Thin Films: Conductivity Experimental Analysis and Insights from Density Functional Theory Calculations. Nanomaterials 2023, 13, 2312.
      • A. Bouich, J. Cerutti, Y. H. Khattak, F. Baig, J. Marí-Guaita, B. Marí, A. Mendez-Blas, P. Palacios, “Bright Future by Controlling α/δ Phase Junction of Formamidinium Lead Iodide Doped by Imidazolium for Solar Cells: Insight from Experimental, DFT Calculations and SCAPS Simulation.” Surfaces and Interfaces, 2023, 103159

      • A. Bouich, J. Marí-Guaita, B. Marí, P. Palacios, “Bright Future by Enhancing the Stability of Methylammonium Lead Triiodide Perovskites Thin Films through Rb, Cs and Li as Dopants” Materials Research Bulletin, 2023, 112213

      • A. Bouich, J. Cerutti, H. Chfii, J. Marí-Guaita, Y. Hameed Khattak, F. Baig, B. Marí, P. Palacios, “Delafossite as Hole Transport Layer a New Pathway for Efficient Perovskite-based Solar Sells: Insight from Experimental, DFT and Numerical Analysis”, Solar Energy, 2023, 250, 18-32

      • 2022

      • A. Bouich, J. Mari-Guaita, F. Baig, Y. H. Khattak, B. Mari, P. Palacios, “Investigation of the Surface Coating, Humidity Degradation, and Recovery of Perovskite Film Phase for Solar-Cell Applications”. Nanomaterials 2022, 12, 3027

      • A. Bouich, J. Mari-Guaita, B. Mari, P. Palacios, “Manufacture of High-Efficiency and Stable Lead-Free Solar Cells through Antisolvent Quenching Engineering”. Nanomaterials 2022, 12, 2901

      • P. Sánchez-Palencia, S. Hamad, P. Palacios, R. Grau-Crespo, K. T. Butler, “Spinel nitride solid solutions: charting properties in the configurational space with explainable machine learning”. Digital Discovery, 2022,1, 665-678

      • A. Bouich, J. Mari-Guaita, B. Sahraoui, P. Palacios, B. Mari, “Tetrabutylammonium (TBA)-Doped Methylammonium Lead Iodide: High Quality and Stable Perovskite Thin Films”. Frontiers in Energy Research, 10 (2022), DOI:10.3389/fenrg.2022.840817

      • 2021

      • 2020

      • J.E. Castellanos, L. Lodeiro, E. Menendez-Proupin, A. L. Montero-Alejo, P. Palacios, J. C. Conesa, P. Wahnón, “Atomic Scale model and electronic structure of Cu2O/CH3NH3PbI3 interfaces in perovskite solar cells”, ACS Applied Materials & Interfaces, 12, 40, 44648–44657,(2020)

      • P. Sánchez-Palencia, G. García, J. C. Conesa, P. Wahnón, P. Palacios, “Spinel-Type Nitride Compounds with improved features as Solar Cell Absorbers”, Acta Materialia, 197, 316-329, 2020

      • G. García, P. Sánchez-Palencia, P. Palacios, P. Wahnón, “Transition Metal-Hyperdoped InP Semiconductors as Efficient Solar Absorber Materials”, Nanomaterials, 10, 283, (2020).

      • J.E. Castellanos, P. Palacios, M. Olea-Amezcua, M. Araceli, J. Rivas-Silva, P. Wahnón, “Band Alignment of the CuGaS2 Chalcopyrite Interfaces Studied from First Principles Calculations”, ACS Omega, 5, 3294-3301, (2020)

      • 2019

      • E. Menendez-Proupin, C.L. Beltran Rios, P. Wahnon, R Tempelaar, “Erratum to: Nonhydrogenic Exciton Spectrum in Perovskite CH3NH3PbI3 (vol 9, pg 559, 2015)”, Physica Status Solidi – Rapid Research Letters, 13 (5). 1900075, (2019)

      • Gregorio García, Julio J. Fernández, Pablo Palacios, Perla Wahnón,”Thermoradiative Cells based on p-type Cu3SbSe4 semiconductor: Application of a Detailed Balance Model” Journal of Electronic Materials, 48, 6777–6785, (2019)

      • 2018

      • Gregorio García, Pablo Palacios, Andreu Cabot, Perla Wahnón, “Thermoelectric Properties of Doped-Cu3SbSe4 Compounds: A First-Principles Insight”, Inorganic Chemistry, 57,12, 7321-7333, (2018)

      • Gregorio García, Pablo Palacios, Eduardo Menéndez-Proupin, Ana. L. Montero-Alejo, José C. Conesa, Perla Wahnón,”Influence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: a first-principles insight”, Scientific Reports ,8, 2511, (2018)

      • Past papers

      • E. Garcia-Hemme, G. García, P. Palacios, D. Montero, R.  García-Hernansanz, G. Gonzalez-Diaz, P. Wahnón, “Vanadium supersaturated Silicon system: a Theoretical and Experimental ApproachJ. Phys. D: Appl. Phys. 50, 495101, (2017).

      • Gregorio García, Marcos Casanova-Páez, Pablo Palacios, Eduardo Menéndez-Proupin, Perla Wahnón, First principle study of V-implantation in highly-doped silicon materials”, Comp. Mater. Science, 137, 217-215, (2017)

      • Yu Liu, Gregorio García, Silvia Ortega, Doris Cadavid,  Pablo Palacios, Jinyu Lu, Maria Ibáñez, LiLi Xi, Jonathan De Roo, Antonio M. Lopez, Sara Martí, Ignasi Cabezas, Maria de la Mata, Zhishan Luo, Chaochao Dun, Oleksandr Dobrozhan, Dave Carroll, Wenqing Zhang, José C. Martins, Maksym Kovalenko, Jordi Arbiol, German Noriega, Jiming Song, Perla Wahnón, Andreu Cabot , “Solution-Based Synthesis and Processing of Sn- and Bi-Doped Cu3SbSe4 Nanocrystals, Nanomaterials and Ring-Shaped Thermoelectric Generators” , J. Mater. Chem. A, 5, 2592-2602, (2017)

      • A. L. Montero-Alejo, E. Menéndez-Proupin, D. Hidalgo-Rojas, P. Palacios, P. Wahnón, J. C. Conesa, “Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase ” J. Phys. Chem. C, 120, 7976-7986, (2016)

      • E. Menendez-Proupin, P. Palacios, P. Wahnon, J. C. Conesa, “Self-consistent relativistic band structure of the CH3NH3PbI3 perovskite ” Phys. Rev. B 90, 045207 , 2014

      • R. Lucena, J.C. Conesa, I. Aguilera, P. Palacios, P. Wahnón “V-substituted In2S3: an intermediate band material with photocalalytic in the whole visible light range ” J. Mater. Chem. A, 2, 8236-8245, 2014

      • Eric García-Hemme, Rodrigo García-Hernansanz, Javier Olea Ariza, David Pastor, A. Del Prado, Ignacio Mártil, P. Wahnon, Kefrén Sánchez, Pablo Palacios, and Germán González-Díaz, “Double ion implantation and pulsed laser melting processes for third generation solar cells ” International Journal of Photoenergy, 473196, 2013.

      • P. Wahnón, J.C. Conesa, P. Palacios, R. Lucena, I. Aguilera, Y. Seminovski, F. Fresno “V-doped SnS2: A new intermediate band material for a better use of the solar spectrum ”  Phys. Chem. Chem. Phys., 113 (2011) 20401 

      • I. Aguilera, P. Palacios, P. Wahnón “Ti Intermediate-Band Formation in Inverse Thiospinel MgIn2S4 Through Self-Consistent Many-Body Approaches ” Phys. Rev. B, 84 (2011) 115116. 

      • I. Aguilera, J. Vidal, P. Wahnón, L. Reining, S. Botti “First-principles study of the band structure and optical absorption of CuGaS2 “Phys. Rev. B, 84 (2011) 085145.

      • M. Lucero, I. Aguilera, C. V. Diaconu, P. Palacios, P. Wahnón, G. E. Scuseria “Screened hybrid and self-consistent GW calculations of cadmium/magnesium indium sulfide materials ” Phys. Rev. B, 83 (2011) 205128.

      • B. Marí, M. M. Moya, K. C. Singh, M. Mollar, P. Palacios, E. Artacho, P. Wahnón, “Characterization of electrodeposited zinc oxide/tetrasulphonated copper phthalocyanines (zno/ts-cupc) hybrid films and their photoelectrochemical properties ” J. Electroanal. Chem. 653 (2011) 86-92.

      • K. Sanchez, I. Aguilera, P. Palacios, P. Wahnón, “Formation of a reliable intermediate band in Si heavily co-implanted with chalcogens (S,Se,Te) and III-group elements (B,Al) ” Phys. Rev. B, 82, 165201, 2010.

      •  I. Aguilera, P. Palacios, K. Sánchez, and P. Wahnón “Theoretical optoelectronic analysis of MgIn2S4 and CdIn2S4 thiospinels: Effect of transition-metal substitution in intermediate-band formation ” Phys. Rev. B 81, 075206 (2010)

      • K. Sánchez, I. Aguilera, P. Palacios, P. Wahnón “Assessment through first-principles calculations of an intermediate-band photovoltaic material based on Ti-implanted silicon: Interstitial versus substitutional origin ” Phys. Rev. B 79, 165203 (2009)

      •  K. Sánchez, P. Palacios, P. Wahnón, “Electronic structure of bulk- and Na-intercalated TiS2 determined from a GGA+U study with the Hubbard terms obtained ab initio ” Phys. Rev. B 78, 235121 (2008)

      •  R. Lucena, I. Aguilera, P. Palacios, P. Wahnón, J. C. Conesa “Synthesis and Spectral Properties of Nanocrystalline V-substituted In2S3, a Novel Material for More Efficient Use of Solar Radiation ” Chem. Mater. 20(16), 5125 – 5127 (2008)

      • P. Palacios, I. Aguilera, K. Sánchez, J. C. Conesa, P. Wahnón “Transition Metal Substituted Indium Thiospinels as Novel Intermediate Band Materials: Prediction and Understanding of their Electronic Properties ” Phys. Rev. Letter, 101, 046403 (2008)

      •  P. Palacios, I. Aguilera, P. Wahnón  “Ab-initio vibrational properties of transition metal chalcopyrite alloys determined as high-efficiency intermediate-band photovoltaic materials” Thin Solid Films, 516, 7070-7074, (2008)

      • P. Palacios, K. Sánchez, J.C. Conesa, J.J. Fernández, P. Wahnón, “Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds” Thin Solid Films, 515, 6280-6284, (2007)

      • J.J. Fernández, C.Tablero and P.Wahnón “Application of the Exact Exchange Potential Method for Half Metallic Intermediate Band Alloy Semiconductor” J. Chem. Phys.,120,10780-10785,(2004)

      • J.C Conesa, C.Tablero and P.Wahnón “First principles calculations of  electronic structures and metal mobility of NaxSi46 and NaxSi34 clathrates” J. Chem. Phys.,120,6142-6151, (2004)

      • J.J.Fernández, C.Tablero and P.Wahnón. “Development and implementation of the exact exchange method for semiconductors using a localized basis set” Comp.Mat.Sci., 28, 274-286, (2003)

      • C.Tablero, A.García, J.J.Fernández, P.Palacios and P.Wahnón. First principles characterization of direct transition for high efficiency new photovoltaic materials” Comp.Mater.Sci., 27, 58-64 (2003)

      • P. Wahnón and C.Tablero “Ab-initio electronic structure calculations for metallic intermediate band formation in photovoltaic materials” Phys.Rev B 65, 165115-1 (2002)


        • 2023
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        • A. Bouich, J. Marí-Guaita, B. Marí, P. Palacios, “Bright Future by Enhancing the Stability of Methylammonium Lead Triiodide Perovskites Thin Films through Rb, Cs and Li as Dopants” Materials Research Bulletin, 2023, 112213
        • A. Bouich, J. Cerutti, H. Chfii, J. Marí-Guaita, Y. Hameed Khattak, F. Baig, B. Marí, P. Palacios, “Delafossite as Hole Transport Layer a New Pathway for Efficient Perovskite-based Solar Sells: Insight from Experimental, DFT and Numerical Analysis”, Solar Energy, 2023, 250, 18-32

        • 2022

        • A. Bouich, J. Mari-Guaita, F. Baig, Y. H. Khattak, B. Mari, P. Palacios, “Investigation of the Surface Coating, Humidity Degradation, and Recovery of Perovskite Film Phase for Solar-Cell Applications”. Nanomaterials 2022, 12, 3027

        • A. Bouich, J. Mari-Guaita, B. Mari, P. Palacios, “Manufacture of High-Efficiency and Stable Lead-Free Solar Cells through Antisolvent Quenching Engineering”. Nanomaterials 2022, 12, 2901

        • P. Sánchez-Palencia, S. Hamad, P. Palacios, R. Grau-Crespo, K. T. Butler, “Spinel nitride solid solutions: charting properties in the configurational space with explainable machine learning”. Digital Discovery, 2022,1, 665-678

        • A. Bouich, J. Mari-Guaita, B. Sahraoui, P. Palacios, B. Mari, “Tetrabutylammonium (TBA)-Doped Methylammonium Lead Iodide: High Quality and Stable Perovskite Thin Films”. Frontiers in Energy Research, 10 (2022), DOI:10.3389/fenrg.2022.840817

        • 2021

        • 2020

        • J.E. Castellanos, L. Lodeiro, E. Menendez-Proupin, A. L. Montero-Alejo, P. Palacios, J. C. Conesa, P. Wahnón, “Atomic Scale model and electronic structure of Cu2O/CH3NH3PbI3 interfaces in perovskite solar cells”, ACS Applied Materials & Interfaces, 12, 40, 44648–44657,(2020)

        • P. Sánchez-Palencia, G. García, J. C. Conesa, P. Wahnón, P. Palacios, “Spinel-Type Nitride Compounds with improved features as Solar Cell Absorbers”, Acta Materialia, 197, 316-329, 2020

        • G. García, P. Sánchez-Palencia, P. Palacios, P. Wahnón, “Transition Metal-Hyperdoped InP Semiconductors as Efficient Solar Absorber Materials”, Nanomaterials, 10, 283, (2020).

        • J.E. Castellanos, P. Palacios, M. Olea-Amezcua, M. Araceli, J. Rivas-Silva, P. Wahnón, “Band Alignment of the CuGaS2 Chalcopyrite Interfaces Studied from First Principles Calculations”, ACS Omega, 5, 3294-3301, (2020)

        • 2019

        • E. Menendez-Proupin, C.L. Beltran Rios, P. Wahnon, R Tempelaar, “Erratum to: Nonhydrogenic Exciton Spectrum in Perovskite CH3NH3PbI3 (vol 9, pg 559, 2015)”, Physica Status Solidi – Rapid Research Letters, 13 (5). 1900075, (2019)

        • Gregorio García, Julio J. Fernández, Pablo Palacios, Perla Wahnón,”Thermoradiative Cells based on p-type Cu3SbSe4 semiconductor: Application of a Detailed Balance Model” Journal of Electronic Materials, 48, 6777–6785, (2019)

        • 2018

        • Gregorio García, Pablo Palacios, Andreu Cabot, Perla Wahnón, “Thermoelectric Properties of Doped-Cu3SbSe4 Compounds: A First-Principles Insight”, Inorganic Chemistry, 57,12, 7321-7333, (2018)

        • Gregorio García, Pablo Palacios, Eduardo Menéndez-Proupin, Ana. L. Montero-Alejo, José C. Conesa, Perla Wahnón,”Influence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: a first-principles insight”, Scientific Reports ,8, 2511, (2018)

        • Past papers

        • E. Garcia-Hemme, G. García, P. Palacios, D. Montero, R.  García-Hernansanz, G. Gonzalez-Diaz, P. Wahnón, “Vanadium supersaturated Silicon system: a Theoretical and Experimental ApproachJ. Phys. D: Appl. Phys. 50, 495101, (2017).

        • Gregorio García, Marcos Casanova-Páez, Pablo Palacios, Eduardo Menéndez-Proupin, Perla Wahnón, First principle study of V-implantation in highly-doped silicon materials”, Comp. Mater. Science, 137, 217-215, (2017)

        • Yu Liu, Gregorio García, Silvia Ortega, Doris Cadavid,  Pablo Palacios, Jinyu Lu, Maria Ibáñez, LiLi Xi, Jonathan De Roo, Antonio M. Lopez, Sara Martí, Ignasi Cabezas, Maria de la Mata, Zhishan Luo, Chaochao Dun, Oleksandr Dobrozhan, Dave Carroll, Wenqing Zhang, José C. Martins, Maksym Kovalenko, Jordi Arbiol, German Noriega, Jiming Song, Perla Wahnón, Andreu Cabot , “Solution-Based Synthesis and Processing of Sn- and Bi-Doped Cu3SbSe4 Nanocrystals, Nanomaterials and Ring-Shaped Thermoelectric Generators” , J. Mater. Chem. A, 5, 2592-2602, (2017)

        • A. L. Montero-Alejo, E. Menéndez-Proupin, D. Hidalgo-Rojas, P. Palacios, P. Wahnón, J. C. Conesa, “Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase ” J. Phys. Chem. C, 120, 7976-7986, (2016)

        • E. Menendez-Proupin, P. Palacios, P. Wahnon, J. C. Conesa, “Self-consistent relativistic band structure of the CH3NH3PbI3 perovskite ” Phys. Rev. B 90, 045207 , 2014

        • R. Lucena, J.C. Conesa, I. Aguilera, P. Palacios, P. Wahnón “V-substituted In2S3: an intermediate band material with photocalalytic in the whole visible light range ” J. Mater. Chem. A, 2, 8236-8245, 2014

        • Eric García-Hemme, Rodrigo García-Hernansanz, Javier Olea Ariza, David Pastor, A. Del Prado, Ignacio Mártil, P. Wahnon, Kefrén Sánchez, Pablo Palacios, and Germán González-Díaz, “Double ion implantation and pulsed laser melting processes for third generation solar cells ” International Journal of Photoenergy, 473196, 2013.

        • P. Wahnón, J.C. Conesa, P. Palacios, R. Lucena, I. Aguilera, Y. Seminovski, F. Fresno “V-doped SnS2: A new intermediate band material for a better use of the solar spectrum ”  Phys. Chem. Chem. Phys., 113 (2011) 20401 

        • I. Aguilera, P. Palacios, P. Wahnón “Ti Intermediate-Band Formation in Inverse Thiospinel MgIn2S4 Through Self-Consistent Many-Body Approaches ” Phys. Rev. B, 84 (2011) 115116. 

        • I. Aguilera, J. Vidal, P. Wahnón, L. Reining, S. Botti “First-principles study of the band structure and optical absorption of CuGaS2 “Phys. Rev. B, 84 (2011) 085145.

        • B. Marí, M. M. Moya, K. C. Singh, M. Mollar, P. Palacios, E. Artacho, P. Wahnón, “Characterization of electrodeposited zinc oxide/tetrasulphonated copper phthalocyanines (zno/ts-cupc) hybrid films and their photoelectrochemical properties ” J. Electroanal. Chem. 653 (2011) 86-92.

        • K. Sanchez, I. Aguilera, P. Palacios, P. Wahnón, “Formation of a reliable intermediate band in Si heavily co-implanted with chalcogens (S,Se,Te) and III-group elements (B,Al) ” Phys. Rev. B, 82, 165201, 2010.

        • M. Lucero, I. Aguilera, C. V. Diaconu, P. Palacios, P. Wahnón, G. E. Scuseria “Screened hybrid and self-consistent GW calculations of cadmium/magnesium indium sulfide materials ” Phys. Rev. B, 83 (2011) 205128.

        •  I. Aguilera, P. Palacios, K. Sánchez, and P. Wahnón “Theoretical optoelectronic analysis of MgIn2S4 and CdIn2S4 thiospinels: Effect of transition-metal substitution in intermediate-band formation ” Phys. Rev. B 81, 075206 (2010)

        • K. Sánchez, I. Aguilera, P. Palacios, P. Wahnón “Assessment through first-principles calculations of an intermediate-band photovoltaic material based on Ti-implanted silicon: Interstitial versus substitutional origin ” Phys. Rev. B 79, 165203 (2009)

        •  K. Sánchez, P. Palacios, P. Wahnón, “Electronic structure of bulk- and Na-intercalated TiS2 determined from a GGA+U study with the Hubbard terms obtained ab initio ” Phys. Rev. B 78, 235121 (2008)

        •  R. Lucena, I. Aguilera, P. Palacios, P. Wahnón, J. C. Conesa “Synthesis and Spectral Properties of Nanocrystalline V-substituted In2S3, a Novel Material for More Efficient Use of Solar Radiation ” Chem. Mater. 20(16), 5125 – 5127 (2008)

        • P. Palacios, I. Aguilera, K. Sánchez, J. C. Conesa, P. Wahnón “Transition Metal Substituted Indium Thiospinels as Novel Intermediate Band Materials: Prediction and Understanding of their Electronic Properties ” Phys. Rev. Letter, 101, 046403 (2008)

        •  P. Palacios, I. Aguilera, P. Wahnón  “Ab-initio vibrational properties of transition metal chalcopyrite alloys determined as high-efficiency intermediate-band photovoltaic materials” Thin Solid Films, 516, 7070-7074, (2008)

        • P. Palacios, K. Sánchez, J.C. Conesa, J.J. Fernández, P. Wahnón, “Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds” Thin Solid Films, 515, 6280-6284, (2007)

        • J.J. Fernández, C.Tablero and P.Wahnón “Application of the Exact Exchange Potential Method for Half Metallic Intermediate Band Alloy Semiconductor” J. Chem. Phys.,120,10780-10785,(2004)

        • J.C Conesa, C.Tablero and P.Wahnón “First principles calculations of  electronic structures and metal mobility of NaxSi46 and NaxSi34 clathrates” J. Chem. Phys.,120,6142-6151, (2004)

        • J.J.Fernández, C.Tablero and P.Wahnón. “Development and implementation of the exact exchange method for semiconductors using a localized basis set” Comp.Mat.Sci., 28, 274-286, (2003)

        • C.Tablero, A.García, J.J.Fernández, P.Palacios and P.Wahnón. First principles characterization of direct transition for high efficiency new photovoltaic materials” Comp.Mater.Sci., 27, 58-64 (2003)

        • P. Wahnón and C.Tablero “Ab-initio electronic structure calculations for metallic intermediate band formation in photovoltaic materials” Phys.Rev B 65, 165115-1 (2002)



      Patentes de Invención:

          •  A.Luque, F.Flores, A.Martí, J.C.Conesa, P.Wahnón, J.Ortega, C.Tablero, R.Pérez, L. Cuadra. “Intermediate Band Semiconductor Photovoltaic Solar Cell” Patent No. WO 00177829 published by International Bureau of WIPO on 21/12/2000

          •  J.C. Conesa, R. Lucena, P. Wahnón, P. Palacios, J.J. Fernández, K. Sánchez, I. Aguilera. “Uso fotónico de material de banda intermedia basado en un semiconductor tipo calcogenuro”, CSIC, UPM. ES 2316287 (2007). BOPI 29 Enero 2010. Publicación Internacional “Photonic Use of Intermediate Band Materials on a Chalcogenide-type Semiconductor”. EP08787659.5 (22 Enero 2010), US 12/669.582 (20 Enero 2010)

          • P. Wahnón, P. Palacios, J.C. Conesa. “Materiales de Si de Banda Intermedia”, UPM, CSIC, ES200930433 ( 2009). PCT/ES22010/000282 (Junio 2010), Publicación Internacional “Intermediate Band Silicon Materials” 13 enero 2011. Nº Pu Inter. WO2011/004036 A1

          • P. Wahnón, J.C. Conesa, P. Palacios, K. Sanchez, I. Aguilera, Y. Seminovski, R. Lucena, D. Gamarra. “Material de Banda Intermedia Basado en un Compuesto Semiconductor de Tipo Calcogenuro de Estaño”, UPM, CSIC., ES200930680 (Septiembre 2009). BOPI el 5 de Julio 2010. PCT/ES22010/000339, Publicación Internacional: “Intermediate Band Material Based on a Semiconductor Compound on Tin Chalcogenide Type”. 17 Marzo 2011. Nº Pu Inter. WO2011/029968 A2

          • J. C. Conesa, R. Lucena, F. Fresno, P. Wahnón, P. Palacios. “Uso de las reacciones fotocatalíticas para analizar el funcionamiento de materiales absorbentes de luz con aplicación fotovoltaica” CSIC, UPM, ES201131635 (Octubre 2011). Concesión del 24 de abril de 2014. PCT/ES2012/070701, Publicación Internacional: “Method for the characterization and identification of Materials with Photovoltaic” Properties 18 Abril 2013 Nº Pu Inter. WO2013/053967 A2

            • 2023
            • A. Bouich, J. Cerutti, Y. H. Khattak, F. Baig, J. Marí-Guaita, B. Marí, A. Mendez-Blas, P. Palacios, “Bright Future by Controlling α/δ Phase Junction of Formamidinium Lead Iodide Doped by Imidazolium for Solar Cells: Insight from Experimental, DFT Calculations and SCAPS Simulation.” Surfaces and Interfaces, 2023, 103159
            • A. Bouich, J. Marí-Guaita, B. Marí, P. Palacios, “Bright Future by Enhancing the Stability of Methylammonium Lead Triiodide Perovskites Thin Films through Rb, Cs and Li as Dopants” Materials Research Bulletin, 2023, 112213
            • A. Bouich, J. Cerutti, H. Chfii, J. Marí-Guaita, Y. Hameed Khattak, F. Baig, B. Marí, P. Palacios, “Delafossite as Hole Transport Layer a New Pathway for Efficient Perovskite-based Solar Sells: Insight from Experimental, DFT and Numerical Analysis”, Solar Energy, 2023, 250, 18-32

            • 2022

            • A. Bouich, J. Mari-Guaita, F. Baig, Y. H. Khattak, B. Mari, P. Palacios, “Investigation of the Surface Coating, Humidity Degradation, and Recovery of Perovskite Film Phase for Solar-Cell Applications”. Nanomaterials 2022, 12, 3027

            • A. Bouich, J. Mari-Guaita, B. Mari, P. Palacios, “Manufacture of High-Efficiency and Stable Lead-Free Solar Cells through Antisolvent Quenching Engineering”. Nanomaterials 2022, 12, 2901

            • P. Sánchez-Palencia, S. Hamad, P. Palacios, R. Grau-Crespo, K. T. Butler, “Spinel nitride solid solutions: charting properties in the configurational space with explainable machine learning”. Digital Discovery, 2022,1, 665-678

            • A. Bouich, J. Mari-Guaita, B. Sahraoui, P. Palacios, B. Mari, “Tetrabutylammonium (TBA)-Doped Methylammonium Lead Iodide: High Quality and Stable Perovskite Thin Films”. Frontiers in Energy Research, 10 (2022), DOI:10.3389/fenrg.2022.840817

            • 2021

            • 2020

            • J.E. Castellanos, L. Lodeiro, E. Menendez-Proupin, A. L. Montero-Alejo, P. Palacios, J. C. Conesa, P. Wahnón, “Atomic Scale model and electronic structure of Cu2O/CH3NH3PbI3 interfaces in perovskite solar cells”, ACS Applied Materials & Interfaces, 12, 40, 44648–44657,(2020)

            • P. Sánchez-Palencia, G. García, J. C. Conesa, P. Wahnón, P. Palacios, “Spinel-Type Nitride Compounds with improved features as Solar Cell Absorbers”, Acta Materialia, 197, 316-329, 2020

            • G. García, P. Sánchez-Palencia, P. Palacios, P. Wahnón, “Transition Metal-Hyperdoped InP Semiconductors as Efficient Solar Absorber Materials”, Nanomaterials, 10, 283, (2020).

            • J.E. Castellanos, P. Palacios, M. Olea-Amezcua, M. Araceli, J. Rivas-Silva, P. Wahnón, “Band Alignment of the CuGaS2 Chalcopyrite Interfaces Studied from First Principles Calculations”, ACS Omega, 5, 3294-3301, (2020)

            • 2019

            • E. Menendez-Proupin, C.L. Beltran Rios, P. Wahnon, R Tempelaar, “Erratum to: Nonhydrogenic Exciton Spectrum in Perovskite CH3NH3PbI3 (vol 9, pg 559, 2015)”, Physica Status Solidi – Rapid Research Letters, 13 (5). 1900075, (2019)

            • Gregorio García, Julio J. Fernández, Pablo Palacios, Perla Wahnón,”Thermoradiative Cells based on p-type Cu3SbSe4 semiconductor: Application of a Detailed Balance Model” Journal of Electronic Materials, 48, 6777–6785, (2019)

            • 2018

            • Gregorio García, Pablo Palacios, Andreu Cabot, Perla Wahnón, “Thermoelectric Properties of Doped-Cu3SbSe4 Compounds: A First-Principles Insight”, Inorganic Chemistry, 57,12, 7321-7333, (2018)

            • Gregorio García, Pablo Palacios, Eduardo Menéndez-Proupin, Ana. L. Montero-Alejo, José C. Conesa, Perla Wahnón,”Influence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: a first-principles insight”, Scientific Reports ,8, 2511, (2018)

            • Past papers

            • E. Garcia-Hemme, G. García, P. Palacios, D. Montero, R.  García-Hernansanz, G. Gonzalez-Diaz, P. Wahnón, “Vanadium supersaturated Silicon system: a Theoretical and Experimental ApproachJ. Phys. D: Appl. Phys. 50, 495101, (2017).

            • Gregorio García, Marcos Casanova-Páez, Pablo Palacios, Eduardo Menéndez-Proupin, Perla Wahnón, First principle study of V-implantation in highly-doped silicon materials”, Comp. Mater. Science, 137, 217-215, (2017)

            • Yu Liu, Gregorio García, Silvia Ortega, Doris Cadavid,  Pablo Palacios, Jinyu Lu, Maria Ibáñez, LiLi Xi, Jonathan De Roo, Antonio M. Lopez, Sara Martí, Ignasi Cabezas, Maria de la Mata, Zhishan Luo, Chaochao Dun, Oleksandr Dobrozhan, Dave Carroll, Wenqing Zhang, José C. Martins, Maksym Kovalenko, Jordi Arbiol, German Noriega, Jiming Song, Perla Wahnón, Andreu Cabot , “Solution-Based Synthesis and Processing of Sn- and Bi-Doped Cu3SbSe4 Nanocrystals, Nanomaterials and Ring-Shaped Thermoelectric Generators” , J. Mater. Chem. A, 5, 2592-2602, (2017)

            • A. L. Montero-Alejo, E. Menéndez-Proupin, D. Hidalgo-Rojas, P. Palacios, P. Wahnón, J. C. Conesa, “Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase ” J. Phys. Chem. C, 120, 7976-7986, (2016)

            • E. Menendez-Proupin, P. Palacios, P. Wahnon, J. C. Conesa, “Self-consistent relativistic band structure of the CH3NH3PbI3 perovskite ” Phys. Rev. B 90, 045207 , 2014

            • R. Lucena, J.C. Conesa, I. Aguilera, P. Palacios, P. Wahnón “V-substituted In2S3: an intermediate band material with photocalalytic in the whole visible light range ” J. Mater. Chem. A, 2, 8236-8245, 2014

            • Eric García-Hemme, Rodrigo García-Hernansanz, Javier Olea Ariza, David Pastor, A. Del Prado, Ignacio Mártil, P. Wahnon, Kefrén Sánchez, Pablo Palacios, and Germán González-Díaz, “Double ion implantation and pulsed laser melting processes for third generation solar cells ” International Journal of Photoenergy, 473196, 2013.

            • P. Wahnón, J.C. Conesa, P. Palacios, R. Lucena, I. Aguilera, Y. Seminovski, F. Fresno “V-doped SnS2: A new intermediate band material for a better use of the solar spectrum ”  Phys. Chem. Chem. Phys., 113 (2011) 20401 

            • I. Aguilera, P. Palacios, P. Wahnón “Ti Intermediate-Band Formation in Inverse Thiospinel MgIn2S4 Through Self-Consistent Many-Body Approaches ” Phys. Rev. B, 84 (2011) 115116. 

            • I. Aguilera, J. Vidal, P. Wahnón, L. Reining, S. Botti “First-principles study of the band structure and optical absorption of CuGaS2 “Phys. Rev. B, 84 (2011) 085145.

            • B. Marí, M. M. Moya, K. C. Singh, M. Mollar, P. Palacios, E. Artacho, P. Wahnón, “Characterization of electrodeposited zinc oxide/tetrasulphonated copper phthalocyanines (zno/ts-cupc) hybrid films and their photoelectrochemical properties ” J. Electroanal. Chem. 653 (2011) 86-92.

            • K. Sanchez, I. Aguilera, P. Palacios, P. Wahnón, “Formation of a reliable intermediate band in Si heavily co-implanted with chalcogens (S,Se,Te) and III-group elements (B,Al) ” Phys. Rev. B, 82, 165201, 2010.

            • M. Lucero, I. Aguilera, C. V. Diaconu, P. Palacios, P. Wahnón, G. E. Scuseria “Screened hybrid and self-consistent GW calculations of cadmium/magnesium indium sulfide materials ” Phys. Rev. B, 83 (2011) 205128.

            •  I. Aguilera, P. Palacios, K. Sánchez, and P. Wahnón “Theoretical optoelectronic analysis of MgIn2S4 and CdIn2S4 thiospinels: Effect of transition-metal substitution in intermediate-band formation ” Phys. Rev. B 81, 075206 (2010)

            • K. Sánchez, I. Aguilera, P. Palacios, P. Wahnón “Assessment through first-principles calculations of an intermediate-band photovoltaic material based on Ti-implanted silicon: Interstitial versus substitutional origin ” Phys. Rev. B 79, 165203 (2009)

            •  K. Sánchez, P. Palacios, P. Wahnón, “Electronic structure of bulk- and Na-intercalated TiS2 determined from a GGA+U study with the Hubbard terms obtained ab initio ” Phys. Rev. B 78, 235121 (2008)

            •  R. Lucena, I. Aguilera, P. Palacios, P. Wahnón, J. C. Conesa “Synthesis and Spectral Properties of Nanocrystalline V-substituted In2S3, a Novel Material for More Efficient Use of Solar Radiation ” Chem. Mater. 20(16), 5125 – 5127 (2008)

            • P. Palacios, I. Aguilera, K. Sánchez, J. C. Conesa, P. Wahnón “Transition Metal Substituted Indium Thiospinels as Novel Intermediate Band Materials: Prediction and Understanding of their Electronic Properties ” Phys. Rev. Letter, 101, 046403 (2008)

            •  P. Palacios, I. Aguilera, P. Wahnón  “Ab-initio vibrational properties of transition metal chalcopyrite alloys determined as high-efficiency intermediate-band photovoltaic materials” Thin Solid Films, 516, 7070-7074, (2008)

            • P. Palacios, K. Sánchez, J.C. Conesa, J.J. Fernández, P. Wahnón, “Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds” Thin Solid Films, 515, 6280-6284, (2007)

            • J.J. Fernández, C.Tablero and P.Wahnón “Application of the Exact Exchange Potential Method for Half Metallic Intermediate Band Alloy Semiconductor” J. Chem. Phys.,120,10780-10785,(2004)

            • J.C Conesa, C.Tablero and P.Wahnón “First principles calculations of  electronic structures and metal mobility of NaxSi46 and NaxSi34 clathrates” J. Chem. Phys.,120,6142-6151, (2004)

            • J.J.Fernández, C.Tablero and P.Wahnón. “Development and implementation of the exact exchange method for semiconductors using a localized basis set” Comp.Mat.Sci., 28, 274-286, (2003)

            • C.Tablero, A.García, J.J.Fernández, P.Palacios and P.Wahnón. First principles characterization of direct transition for high efficiency new photovoltaic materials” Comp.Mater.Sci., 27, 58-64 (2003)

            • P. Wahnón and C.Tablero “Ab-initio electronic structure calculations for metallic intermediate band formation in photovoltaic materials” Phys.Rev B 65, 165115-1 (2002)



          Patentes de Invención:

              •  A.Luque, F.Flores, A.Martí, J.C.Conesa, P.Wahnón, J.Ortega, C.Tablero, R.Pérez, L. Cuadra. “Intermediate Band Semiconductor Photovoltaic Solar Cell” Patent No. WO 00177829 published by International Bureau of WIPO on 21/12/2000

              •  J.C. Conesa, R. Lucena, P. Wahnón, P. Palacios, J.J. Fernández, K. Sánchez, I. Aguilera. “Uso fotónico de material de banda intermedia basado en un semiconductor tipo calcogenuro”, CSIC, UPM. ES 2316287 (2007). BOPI 29 Enero 2010. Publicación Internacional “Photonic Use of Intermediate Band Materials on a Chalcogenide-type Semiconductor”. EP08787659.5 (22 Enero 2010), US 12/669.582 (20 Enero 2010)

              • P. Wahnón, P. Palacios, J.C. Conesa. “Materiales de Si de Banda Intermedia”, UPM, CSIC, ES200930433 ( 2009). PCT/ES22010/000282 (Junio 2010), Publicación Internacional “Intermediate Band Silicon Materials” 13 enero 2011. Nº Pu Inter. WO2011/004036 A1

              • P. Wahnón, J.C. Conesa, P. Palacios, K. Sanchez, I. Aguilera, Y. Seminovski, R. Lucena, D. Gamarra. “Material de Banda Intermedia Basado en un Compuesto Semiconductor de Tipo Calcogenuro de Estaño”, UPM, CSIC., ES200930680 (Septiembre 2009). BOPI el 5 de Julio 2010. PCT/ES22010/000339, Publicación Internacional: “Intermediate Band Material Based on a Semiconductor Compound on Tin Chalcogenide Type”. 17 Marzo 2011. Nº Pu Inter. WO2011/029968 A2

              • J. C. Conesa, R. Lucena, F. Fresno, P. Wahnón, P. Palacios. “Uso de las reacciones fotocatalíticas para analizar el funcionamiento de materiales absorbentes de luz con aplicación fotovoltaica” CSIC, UPM, ES201131635 (Octubre 2011). Concesión del 24 de abril de 2014. PCT/ES2012/070701, Publicación Internacional: “Method for the characterization and identification of Materials with Photovoltaic” Properties 18 Abril 2013 Nº Pu Inter. WO2013/053967 A2