Zobrazeno 1 - 10 of 90 pro vyhledávání: '"Antonio M. Márquez"'
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Catalytic activity of PtCu intermetallic compound for CO oxidation: A theoretical insight
Autor: Javier Fdez. Sanz, Javier Amaya Suárez, Jose J. Plata, Antonio M. Márquez
Publikováno v: Catalysis Today. 383:339-344
To understand the microscopic mechanism of the CO oxidation reaction at PtCu nanoparticles, which have unique geometric and electronic structures compared to their component metals, we present here a theoretical study, based on density functional the
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b3bdbb49fa355a9b38f2540a68631d1a
https://doi.org/10.1016/j.cattod.2020.12.007
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3
Unraveling the role of chemical composition in the lattice thermal conductivity of oxychalcogenides as thermoelectric materials
Autor: Ernesto J. Blancas, Jose J. Plata, Julia Santana, Felipe Lemus-Prieto, Antonio M. Márquez, Javier Fdez. Sanz
Publikováno v: Journal of Materials Chemistry A. 10:19941-19952
Oxychalcogenides represent a large chemical space with potential application as thermoelectric materials due to their low thermal conductivity.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b0c6614a63f03065a9d1b15c9af76901
https://doi.org/10.1039/d2ta02180c
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5
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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6
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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7
Long time dynamics for functional three-dimensional Navier-Stokes-Voigt equations
Autor: Tomás Caraballo, Antonio M. Márquez-Durán
Publikováno v: idUS: Depósito de Investigación de la Universidad de Sevilla
Universidad de Sevilla (US)
AIMS Mathematics, Vol 5, Iss 6, Pp 5470-5494 (2020)
idUS. Depósito de Investigación de la Universidad de Sevilla
instname
In this paper we consider a non-autonomous Navier-Stokes-Voigt model including a variety of delay terms in a unified formulation. Firstly, we prove the existence and uniqueness of solutions by using a Galerkin scheme. Next, we prove the existence and
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2f6dc06e883bacea20518d100c2e1b2
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8
Connecting Experimental Synthetic Variables with the Microstructure and Electronic Properties of Doped Ferroelectric Perovskites for Solar Cell Applications Using High-Throughput Frameworks
Autor: Antonio M. Márquez, Santiago Cuesta-Lopez, Javier Fdez. Sanz, Jose J. Plata
Publikováno v: SSRN Electronic Journal.
Doping remains as the most used technique to photosensitize ferroelectric oxides for solar cell applications. However, optimizing these materials is still a challenge. First, many variables should be considered, for instance dopant nature and concent
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::86b73430d8f4e97ea75139027443e213
https://doi.org/10.2139/ssrn.3639773
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9
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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10
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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