Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics
Garrote-Márquez, Alejandro, Lodeiro, Lucas, Suresh, Rahul, Cruz Hernández, Norge, Grau-Crespo, Ricardo, Menéndez-Proupin, Eduardo
Published in Journal of physical chemistry. C (17.08.2023)
Published in Journal of physical chemistry. C (17.08.2023)
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Journal Article
Electronic and Structural Properties of Highly Aluminum Ion Doped TiO2 Nanoparticles: A Combined Experimental and Theoretical Study
de los Santos, Desireé M., Aguilar, Teresa, Sánchez-Coronilla, Antonio, Navas, Javier, Cruz Hernández, Norge, Alcántara, Rodrigo, Fernández-Lorenzo, Concha, Martín-Calleja, Joaquín
Published in Chemphyschem (04.08.2014)
Published in Chemphyschem (04.08.2014)
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Journal Article
Classical molecular dynamics simulations of gold clusters deposited on rutile TiO2(1 1 0) surface
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Conference Proceeding
Journal Article
A DFT-based simulated annealing method for the optimization of global energy in zeolite framework systems: Application to natrolite, chabazite and clinoptilolite
Abatal, Mohamed, Ruiz-Salvador, A. Rabdel, Hernández, Norge Cruz
Published in Microporous and mesoporous materials (01.03.2020)
Published in Microporous and mesoporous materials (01.03.2020)
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Journal Article
First principles simulations of Cu and Au deposition on α-Al2O3 (0 0 0 1) surface
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Journal Article
Conference Proceeding
Nitrogen/gold codoping of the TiO2(101) anatase surface. A theoretical study based on DFT calculations
ORTEGA, Yanaris, HERNANDEZ, Norge Cruz, MENENDEZ-PROUPIN, Eduardo, GRACIANI, Jesus, SANZ, Javier Fdez
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
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Journal Article
A First Principles Density Functional Study of Au Deposition on TiN (001) Surface
Hernández, Norge Cruz, Sanz, Javier Fdez
Published in International journal of molecular sciences (13.11.2001)
Published in International journal of molecular sciences (13.11.2001)
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Journal Article
A Study of Overheating of Thermostatically Controlled TiO2 Thin Films by Using Raman Spectroscopy
Gallardo, Juan Jesús, Navas, Javier, Zorrilla, David, Alcántara, Rodrigo, Valor, Diego, Sánchez-Coronilla, Antonio, Hernández, Norge Cruz, Fernández-Lorenzo, Concha, Martín-Calleja, Joaquín
Published in Chemphyschem (21.12.2015)
Published in Chemphyschem (21.12.2015)
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Journal Article
Cu, Ag and Au atoms deposited on the α-Al2O3(0001) surface: a comparative density functional study
CRUZ HERNANDEZ, Norge, GRACIANI, Jesus, MARQUEZ, Antonio, FDEZ SANZ, Javier
Published in Surface science (20.01.2005)
Published in Surface science (20.01.2005)
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Journal Article
Structural and electronic properties of Li-adsorbed single and bilayer porphyrin sheets as an electrode material for energy storage devices - a DFT analysis
, , Balakrishnan, Abhayram, Suresh, Rahul, Hernandez, Norge Cruz, Subramaniam, Vijayakumar
Published in Physical chemistry chemical physics : PCCP (28.02.2024)
Published in Physical chemistry chemical physics : PCCP (28.02.2024)
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Journal Article
Nucleation of zeolitic imidazolate frameworks: from molecules to nanoparticles
Balestra, Salvador R. G, Martínez-Haya, Bruno, Cruz-Hernández, Norge, Lewis, Dewi W, Woodley, Scott M, Semino, Rocio, Maurin, Guillaume, Ruiz-Salvador, A. Rabdel, Hamad, Said
Published in Nanoscale (16.02.2023)
Published in Nanoscale (16.02.2023)
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Journal Article
Hydrogen bonds in lead halide perovskites: insights from ab initio molecular dynamics
Garrote-Márquez, Alejandro, Lucas Lodeiro, Suresh, Rahul, Norge Cruz Hernández, Grau-Crespo, Ricardo, Menéndez-Proupin, Eduardo
Published in arXiv.org (29.03.2023)
Published in arXiv.org (29.03.2023)
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Paper
Journal Article
Redox properties of gold-substituted zirconia surfaces
GRAU-CRESPO, Ricardo, HERNINDEZ, Norge Cruz, SANZ, Javier F, DE LEEUW, Nora H
Published in Journal of materials chemistry (14.02.2009)
Published in Journal of materials chemistry (14.02.2009)
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Journal Article