Zobrazeno 1 - 10
of 95
pro vyhledávání: '"K. Kośmider"'
Autor:
Martin Vondráček, Jan Berger, Martin Švec, Oleksandr Stetsovych, K. Kośmider, Evan J. Spadafora, Pavel Jelínek, Prokop Hapala
Publikováno v:
The Journal of Physical Chemistry C. 120:21955-21961
Ferrocene-based molecules are extremely appealing as they offer a prospect of having built-in spin or charge functionality. However, there are only limited number of studies of structural and electronic properties on surfaces so far. We investigated
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac406c36ac8a183f59ad3ab62429e219
https://doi.org/10.1021/acs.jpcc.6b05978
https://doi.org/10.1021/acs.jpcc.6b05978
Publikováno v:
The Journal of Physical Chemistry C. 120:927-933
Ce3+ sites may play an important role in defining active sites in ceria-based catalysis. Yet, though present at the catalyst surface, their positions have not been experimentally observed. Recently, it has been argued that Ce3+ sites are the preferre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c0a9fcb19fcba0e62ef25bf94e4ff7c7
https://doi.org/10.1021/acs.jpcc.5b05335
https://doi.org/10.1021/acs.jpcc.5b05335
Publikováno v:
Applied Surface Science. 267:4-7
Structural and electronic properties of the Pb/Ni(1 1 1) overlayer and the Ni 2 Pb/Ni(1 1 1) surface alloy have been investigated within a DFT-PBE approach in order to determine its reactivity towards adsorption of CO molecules. This work has been mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5aba24ad55f1e7f1617f99feecaac416
https://doi.org/10.1016/j.apsusc.2012.04.068
https://doi.org/10.1016/j.apsusc.2012.04.068
Autor:
K. Kośmider, Rubén Pérez, M. Verónica Ganduglia-Pirovano, Delia Fernández-Torre, Javier Carrasco
Publikováno v:
The Journal of Physical Chemistry C. 116:13584-13593
Understanding the interaction between water and ceria surfaces is crucial in many catalytic applications. For the clean CeO2(111) surface, density functional theory (DFT) calculations using different generalized gradient approximations (GGAs) to the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::207502982620a2798ae146864e5b8fa9
https://doi.org/10.1021/jp212605g
https://doi.org/10.1021/jp212605g
Autor:
K. Kośmider
Publikováno v:
Applied Surface Science. 256:4806-4812
Adsorption of CO molecules and Pb atoms on the Ni(1 1 1) and Ni3Al(1 1 1) substrates is studied theoretically within an ab initio density-functional-theory approach. Stable adsorption sites and the corresponding adsorption energies are first determin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::041e9362336ebffb756c3bdee13b0383
https://doi.org/10.1016/j.apsusc.2010.01.108
https://doi.org/10.1016/j.apsusc.2010.01.108
Akademický článek
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Publikováno v:
RUA. Repositorio Institucional de la Universidad de Alicante
Universidad de Alicante (UA)
Universidad de Alicante (UA)
We study the conduction band spin splitting that arises in transition metal dichalcogenide (TMD) semiconductor monolayers such as MoS$_2$, MoSe$_2$, WS$_2$ and WSe$_2$ due to the combination of spin-orbit coupling and lack of inversion symmetry. Two
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8ae7192e01a8defc0d1125f063b2696
https://doi.org/10.1103/physrevb.88.245436
https://doi.org/10.1103/physrevb.88.245436
Autor:
K. Kośmider, Joaquín Fernández-Rossier
Publikováno v:
Physical Review B. 87
This work has been financially supported by MEC-Spain (Grants FIS2010-21883-C02-01, and CONSOLIDER CSD2007-0010) and Generalitat Valenciana, Grant Prometeo 2012-11.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::da5298e889e1e30b0fe1d2b3d1de361f
https://doi.org/10.1103/physrevb.87.075451
https://doi.org/10.1103/physrevb.87.075451
Publikováno v:
Physical Review B. 80
We present the results of computational and experimental studies of the electronic and structural properties of the Pb/Mo(110) adsorption system. Computational part of this work is based on ab initio density-functional calculations. The obtained resu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::39a295d6dfb8ab42ef2708be27beb82a
https://doi.org/10.1103/physrevb.80.115424
https://doi.org/10.1103/physrevb.80.115424
Akademický článek
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