NombreCruz Hernández, Norge
DepartamentoFísica Aplicada I
Área de conocimientoFísica Aplicada
Categoría profesionalProfesor Titular de Universidad
Correo electrónicoSolicitar
           
  • Nº publicaciones

    21

  • Nº visitas

    1780

  • Nº descargas

    2317


 

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Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics

Garrote-Márquez, A.; Lodeiro, Lucas; Suresh, Rahul; Cruz Hernández, Norge; Grau-Crespo, Ricardo; Menéndez-Proupin, Eduardo (American Chemical Society, 2023)
Hydrogen bonds (HBs) play an important role in the rotational dynamics of organic cations in hybrid organic/inorganic ...
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Simulating key properties of lithium-ion batteries with a fault-tolerant quantum computer

Delgado, Alain; Moreno Casares, Pablo A.; Reis, Roberto dos; Zini, Modjtaba Shokrian; Campos, Roberto; Cruz Hernández, Norge; Voigt, Arne-Christian; Lowe, Angus; Jahangiri, Soran; Martin-Delgado, M. A.; Mueller, Jonathan E.; Arrazola, Juan Miguel (American Physical Society, 2022)
There is a pressing need to develop new rechargeable battery technologies that can offer higher energy storage, faster ...
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Copper-nitroxide based breathing crystals: a unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations

Sánchez de Armas, María Rocío; Cruz Hernández, Norge; Jiménez Calzado, Carmen (Royal Society of Chemistry, 2019)
The molecular magnets Cu(hfac)2LR based on copper(II) and pyrazolyl-substituted nitronyl nitroxide radicals LR exhibit ...
Patente
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Biomateriales compuestos para impresión 3D de dispositivos médicos

González Santos, Ramón; Cruz Hernández, Norge; Rodríguez Delgado, Antonio (Oficina Española de Patentes y Marcas , 2018)
La presente invención tiene por objeto la obtención de biomateriales compuestos nanoestructurados y bioactivos para impresión ...
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Electronic Structure and Magnetic Interactions in the Radical Salt [BEDT-TTF]2[CuCl4]

Jiménez Calzado, Carmen; Rodríguez García, Bárbara; Galán Mascarós, José Ramón; Cruz Hernández, Norge (American Chemical Society, 2018)
The magnetic behavior and electric properties of the hybrid radical salt [BEDT-TTF]2[CuCl4] have been revisited through ...
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Hybrid Perovskite, CH3NH3PbI3, for Solar Applications: An Experimental and Theoretical Analysis of Substitution in A and B Sites

Sánchez Coronilla, Antonio; Navas Pineda, Francisco Javier; Gallardo Bernal, Juan Jesús; Martín Fernández, Elisa Isabel; Santos Martínez, Desirée de los; Cruz Hernández, Norge; Alcántara Puerto, Rodrigo; Hidalgo Toledo, José; Fernández Lorenzo, Concha (Hindawi, 2017)
The effect of the incorporation of into the CH3 sites of the tetragonal perovskite CH3NH3PbI3 is analysed. Also, how it ...
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Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: Band gap tuning: Via iron substitutions

Aziz, Alex; Ruiz-Salvador, A. Rabdel; Cruz Hernández, Norge; Calero, Sofía; Hamad, Said; Grau-Crespo, Ricardo (Royal Society of Chemistry, 2017)
Photocatalysts based on metal-organic frameworks (MOFs) are very promising due to a combination of high tuneability and ...
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Modelling a Linker Mix‐and‐Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks

Grau-Crespo, Ricardo; Aziz, Alex; Collins, Angus W.; Crespo-Otero, Rachel; Cruz Hernández, Norge; Rodríguez-Albelo, Luisa Marleny; Ruiz-Salvador, A. Rabdel; Calero, Sofía; Hamad, Said (Wiley, 2016)
Tuning the electronic structure of metal–organic frameworks is the key to extending their functionality to the photocatalytic ...
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Electronic structure of porphyrin-based metal– organic frameworks and their suitability for solar fuel production photocatalysis

Hamad, Said; Cruz Hernández, Norge; Aziz, Alex; Ruíz-Salvador, Ángel Rabdel; Calero, Sofía; Grau-Crespo, Ricardo (Royal Society of Chemistry, 2015)
Metal–organic frameworks (MOFs) can be exceptionally good catalytic materials thanks to the presence of active metal centres ...
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Revealing the role of Pb 2+ in the stability of organic–inorganic hybrid perovskite CH 3 NH 3 Pb 1− x Cd x I 3: an experimental and theoretical study

Navas, Javier; Sánchez Coronilla, Antonio; Gallardo, Juan Jesús; Martín Fernández, Elisa Isabel; Cruz Hernández, Norge; Alcántara, Rodrigo; Fernández Lorenzo, Concha; Martín Calleja, Joaquín (Royal Society of Chemistry, 2015)
This paper presents the synthesis of organic–inorganic hybrid perovskite CH3NH3Pb1−xCdxI3. The effect of incorporating ...
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Draft Genome of the Marine Gammaproteobacterium Halomonas titanicae

Sánchez-Porro Álvarez, Cristina; Ruiz de la Haba, Rafael; Cruz Hernández, Norge; González Aranda, Juan Miguel; Reyes Guirao, Cristina; Navarro Sampedro, Laura; Carballo Álvarez, Modesto José; Ventosa Ucero, Antonio (2013)
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On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO2(111)

Branda, María Marta; Castellani, Norberto J.; Grau-Crespo, Ricardo; Leeuw, Nora H. de; Cruz Hernández, Norge; Fernández Sanz, Javier; Neyman, Konstantin M.; Illas, Francesc; Illas, Francesc (AIP Publishing, 2009)
The electronic structure and oxidation state of atomic Au adsorbed on a perfect CeO2(111) surface have been investigated ...
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Effect of on-site Coulomb repulsion term U on the band-gap states of the reduced rutile (110) TiO2 surface

Jiménez Calzado, Carmen; Cruz Hernández, Norge; Fernández Sanz, Javier (American Physical Society, 2008)
We present a study concerning the effect of the on site d-d Coulomb interaction energy U on the band-gap states of ...
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The constrained space orbital variation analysis for periodic ab initio calculations

Cruz Hernández, Norge; Zicovich-Wilson, Claudio Marcelo; Fernández Sanz, Javier; Fernández Sanz, Javier (AIP Publishing, 2006)
The constrained space orbital variation (CSOV) method for the analysis of the interaction energy has been implemented in ...
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Proposal for a modified Møller-Plesset perturbation theory

Cabo, Alejandro; Claro, Francisco; Menéndez-Proupin, Eduardo; Cruz Hernández, Norge; Fernández Sanz, Javier (American Physical Society, 2006)
A modified version of the Møller-Plesset approach for obtaining the correlation energy associated with a Hartree-Fock ...
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Interaction potentials from periodic density-functional theory calculations: Molecular-dynamics simulations of Au clusters deposited on the TiN (001) surface

Cruz Hernández, Norge; Fernández Sanz, Javier; Fernández Sanz, Javier (AIP Publishing, 2005)
Molecular-dynamics simulations of gold particles deposited on a TiN 001 surface have been accounted for through classical ...
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Mechanism of Cu deposition on the α−Al2O3 (0001) surface

Fernández Sanz, Javier; Cruz Hernández, Norge (American Physical Society, 2005)
The growth mechanism of the Cu/α−Al2O3 (0001) interface is studied by first-principles molecular-dynamics simulations as ...
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Surface model and exchange-correlation functional effects on the description of Pd/α-Al2O3(0001)

Gomes, José R. B.; Illas, Francesc; Cruz Hernández, Norge; Fernández Sanz, Javier; Wander, A.; Harrison, Nicholas M. (AIP Publishing, 2002)
The interaction of Pd with the Al-terminated α-Al2O3(0001) surface has been investigated using an embedded cluster model ...
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Interaction of Pd with α-Al2O3(0001): A case study of modeling the metal-oxide interface on complex substrates

Gomes, José R. B.; Illas, Francesc; Cruz Hernández, Norge; Márquez Cruz, Antonio Marcial; Fernández Sanz, Javier (American Physical Society, 2002)
The Pd/α-Al2O3(0001) interface at low Pd coverage has been studied by a variety of theoretical methods and models at this ...
Tesis Doctoral
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Adsorción de metales sobre óxidos y nitruros metálicos

Cruz Hernández, Norge; Fernández Sanz, Javier (2001)
La deposición de metales sobre soportes inertes constituye uno de los métodos más eficaces para preparar nuevos materiales ...
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Ab initio group model potentials including electron correlation effects

Cruz Hernández, Norge; Fernández Sanz, Javier (AIP Publishing, 2000)
A method for determination of ab initio group model potentials, with the intention of describing the effects of a whole ...