Zobrazeno 1 - 10 of 99 pro vyhledávání: '"Javier Fernández Sanz"'
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Optoelectronic properties of Ag2S/graphene and FeS2/ graphene nanostructures and interfaces: A density functional study including dispersion forces
Autor: Javier Amaya Suárez, Cristina García-Prieto, M. Dolores Fernández-Martínez, Elena R. Remesal, Antonio M. Márquez, Javier Fernández Sanz
Publikováno v: idUS. Depósito de Investigación de la Universidad de Sevilla
Fundacion Sancho el Sabio Fundazioa (FSS)
The optoelectronic properties of several Ag2S/graphene and FeS2/graphene nanostructures are examined through density functional theory calculations including dispersion forces. First, we analyzed the electronic structure of Ag2S and FeS2 nanocluster
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a42c757aef36ec7974fc659425985a21
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3
Fast, accurate and non-empirical determination of the lattice thermal conductivities of I-III-VI2 chalcopyrite semiconductors
Autor: Javier Fernández Sanz, Jose J. Plata, Victor Posligua, Antonio Joaquín Santos Márquez, Ricardo Grau-Crespo
The use of computer simulation to predict the lattice thermal conductivity of materials has the potential to accelerate the discovery of new thermoelectric materials. However, the accurate prediction of this property from first principles, without in
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::15ee5c06a32aa543d65ab894ddcfd6e7
https://doi.org/10.33774/chemrxiv-2021-dj90x
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4
Fast, accurate and non-empirical determination of the lattice thermal conductivities of I-III-VI2 chalcopyrite semiconductors
Autor: Jose J. Plata, Victor Posligua, Antonio Marquez, Javier Fernández Sanz, Ricardo Grau-Crespo
The use of computer simulation to predict the lattice thermal conductivity of materials has the potential to accelerate the discovery of new thermoelectric materials. However, the accurate prediction of this property from first principles, without in
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c4f79e720874a0cefb67b6cecb1e6b56
https://doi.org/10.26434/chemrxiv-2021-dj90x
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5
High-throughput screening of the thermoelastic properties of ultrahigh-temperature ceramics
Autor: Ernesto J. Blancas, Antonio M. Márquez, Jose J. Plata, Julia Santana-Andreo, Javier Fernández Sanz, Pinku Nath
Publikováno v: ACS Applied Materials & Interfaces
idUS. Depósito de Investigación de la Universidad de Sevilla
instname
Ultrahigh-temperature ceramics (UHTCs) are a group of materials with high technological interest because of their applications in extreme environments. However, their characterization at high temperatures represents the main obstacle for their fast d
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b525b5076326bda576f32b7e2cb7f1d3
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6
Ag2S Quantum Dot-Sensitized Solar Cells by First Principles: The Effect of Capping Ligands and Linkers
Autor: Javier Amaya Suárez, Javier Fernández Sanz, Antonio M. Márquez, Jose J. Plata
Publikováno v: The Journal of Physical Chemistry A. 121:7290-7296
Quantum dots solar cells, QDSCs, are one of the candidates for being a reliable alternative to fossil fuels. However, the well-studied CdSe and CdTe-based QDSCs present a variety of issues for their use in consumer-goods applications. Silver sulfide,
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0de8721fdcd23f9a24c142a374e0bfa9
https://doi.org/10.1021/acs.jpca.7b07731
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7
Adsorption of Prototypical Asphaltenes on Silica: First-Principles DFT Simulations Including Dispersion Corrections
Autor: Javier Fernández Sanz, Arturo Torres, Javier Amaya Suárez, Cristina Rincón Cañibano, Elena R. Remesal, Antonio M. Márquez
Publikováno v: The Journal of Physical Chemistry B. 122:618-624
In this work, we explore the interaction between some prototypical asphaltene and porphyrin molecules with a fully hydroxylated (0001) surface of α-quartz by means of theoretical calculations based on the density functional theory (DFT) under period
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7317d60f1b2655e5b264c9053e96724
https://doi.org/10.1021/acs.jpcb.7b05188
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8
Nanoimaging of Organic Charge Retention Effects: Implications for Nonvolatile Memory, Neuromorphic Computing, and High Dielectric Breakdown Devices
Autor: Lin-Wang Wang, Yves J. Chabal, Javier Fernández Sanz, Miquel Salmeron, Jun Kang, Louis Caillard, Olivier Pluchery, Yingjie Zhang
Publikováno v: ACS Applied Nano Materials, vol 2, iss 8
idUS. Depósito de Investigación de la Universidad de Sevilla
instname
While a large variety of organic and molecular materials have been found to exhibit charge memory effects, the underlying mechanism is not well-understood, which hinders rational device design. Here, we study the charge retention mechanism of a nanos
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::499741487eaefd677ea61031bdda1b76
https://escholarship.org/uc/item/7w33n95p
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9
Comprehensive Experimental and Theoretical Study of the CO + NO Reaction Catalyzed by Au/Ni Nanoparticles
Autor: Andrew E. H. Wheatley, Antonio M. Márquez, Simon K. Beaumont, Juan P. Holgado, Joshua P. Mehta, Martin J. Taylor, Javier Fernández Sanz, Georgios Kyriakou, Richard M. Lambert
Publikováno v: ACS Catalysis
idUS: Depósito de Investigación de la Universidad de Sevilla
Universidad de Sevilla (US)
idUS. Depósito de Investigación de la Universidad de Sevilla
instname
ACS catalysis, 2019, Vol.9, pp.4919-4929 [Peer Reviewed Journal]
The catalytic and structural properties of five different nanoparticle catalysts with varying Au/Ni composition were studied by six different methods, including in situ X-ray absorption spectroscopy and density functional theory (DFT) calculations. T
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a675863a6e43aacfa57928932a24a927
https://publications.aston.ac.uk/id/eprint/39009/6/acscatal.8b05154.pdf
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10
Understanding the Photocatalytic Properties of Pt/CeO
Autor: J J, Plata, E R, Remesal, Jesús, Graciani, A M, Márquez, J A, Rodríguez, Javier Fernández, Sanz
Publikováno v: Chemphyschem : a European journal of chemical physics and physical chemistry. 20(12)
Ceria-titania interfaces play a crucial role in different chemical processes but are especially promising for the photocatalytic splitting of water using light in the visible wavelength region when Pt is added to the system. However, the complexity o
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::17fd17ed262a0aa22c09454e59ee04f3
https://pubmed.ncbi.nlm.nih.gov/31046196
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