Density functional theory study of FePdn (n = 2―14) clusters and interactions with small molecules
- Autor
- LI MA1 3 ; JIANGUANG WANG2 3 ; YUANYUAN HAO1 ; GUANGHOU WANG3
[1] Department of Physics, Northwest University, Xi'an 710069, China
[2] Institute of Photonics and Photo-Technology, Northwest University, Xi'an 710069, China
[3] National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093, China - Fuente
Computational materials science. 2013, Vol 68, pp 166-173, 8 p ; ref : 47 ref
- ISSN
- 0927-0256
- Campo Científico
- Condensed state physics
- Editor
- Elsevier, Amsterdam
- País de la publicación
- Netherlands
- Tipo de documento
- Article
- Idioma
- English
- Palabra clave de autor
- Cluster Density functional theory Small molecule adsorption
- Palabra clave (fr)
- Adsorption Agrégat atomique Approximation gradient généralisé Dopage Effet dimensionnel Energie liaison Fer alliage Longueur liaison Moment magnétique Métal transition alliage Méthode fonctionnelle densité Palladium alliage Structure adsorption
- Palabra clave (in)
- Adsorption Atomic clusters Generalized gradient approximation Doping Size effect Binding energy Iron alloys Bond lengths Magnetic moments Transition element alloys Density functional method Palladium alloys Adsorption structure
- Palabra clave (es)
- Doping Estructura adsorción
- Clasificación
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography / 001B60A46 Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals
- Disciplina
- Physics of condensed state : structure, mechanical and thermal properties
- Procedencia
- Inist-CNRS
- Base de datos
- PASCAL
- Identificador INIST
- 27029259
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Acceso al documento
Install on your browser
DOI
10.1016/j.commatsci.2012.10.014 
https://dx.doi.org/10.1016/j.commatsci.2012.10.014
"O:13:\"PanistOpenUrl\":36:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000idc\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:31:\"10.1016\/j.commatsci.2012.10.014\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:100:\"Density functional theory study of FePdn (n = 2\u201514) clusters and interactions with small molecules\";s:9:\"\u0000*\u0000jtitle\";s:31:\"Computational materials science\";s:9:\"\u0000*\u0000stitle\";s:18:\"Comput. mater. sci\";s:7:\"\u0000*\u0000date\";s:4:\"2013\";s:9:\"\u0000*\u0000volume\";s:2:\"68\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:3:\"166\";s:8:\"\u0000*\u0000epage\";s:3:\"173\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0927-0256\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:5:\"LI MA\";s:10:\"\u0000*\u0000aufirst\";s:0:\"\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:14:\"JIANGUANG WANG\";i:1;s:12:\"YUANYUAN HAO\";i:2;s:13:\"GUANGHOU WANG\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:100:\"Density functional theory study of FePdn (n = 2\u201514) clusters and interactions with small molecules\";s:8:\"\u0000*\u0000place\";s:9:\"Amsterdam\";s:6:\"\u0000*\u0000pub\";s:8:\"Elsevier\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:1:\"8\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Acceso mediante Panist
"O:12:\"IstexOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:31:\"10.1016\/j.commatsci.2012.10.014\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:100:\"Density functional theory study of FePdn (n = 2\u201514) clusters and interactions with small molecules\";s:9:\"\u0000*\u0000jtitle\";s:31:\"Computational materials science\";s:9:\"\u0000*\u0000stitle\";s:18:\"Comput. mater. sci\";s:7:\"\u0000*\u0000date\";s:4:\"2013\";s:9:\"\u0000*\u0000volume\";s:2:\"68\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:3:\"166\";s:8:\"\u0000*\u0000epage\";s:3:\"173\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0927-0256\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:5:\"LI MA\";s:10:\"\u0000*\u0000aufirst\";s:0:\"\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:14:\"JIANGUANG WANG\";i:1;s:12:\"YUANYUAN HAO\";i:2;s:13:\"GUANGHOU WANG\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:100:\"Density functional theory study of FePdn (n = 2\u201514) clusters and interactions with small molecules\";s:8:\"\u0000*\u0000place\";s:9:\"Amsterdam\";s:6:\"\u0000*\u0000pub\";s:8:\"Elsevier\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:1:\"8\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Acceso mediante Istex
"O:16:\"UnpaywallOpenUrl\":35:{s:8:\"\u0000*\u0000email\";s:27:\"assistance-portail@inist.fr\";s:6:\"\u0000*\u0000fmt\";N;s:6:\"\u0000*\u0000doi\";s:31:\"10.1016\/j.commatsci.2012.10.014\";s:6:\"\u0000*\u0000pii\";N;s:7:\"\u0000*\u0000pmid\";N;s:9:\"\u0000*\u0000atitle\";N;s:9:\"\u0000*\u0000jtitle\";N;s:9:\"\u0000*\u0000stitle\";N;s:7:\"\u0000*\u0000date\";N;s:9:\"\u0000*\u0000volume\";N;s:8:\"\u0000*\u0000issue\";N;s:8:\"\u0000*\u0000spage\";N;s:8:\"\u0000*\u0000epage\";N;s:8:\"\u0000*\u0000pages\";N;s:7:\"\u0000*\u0000issn\";N;s:8:\"\u0000*\u0000eissn\";N;s:9:\"\u0000*\u0000aulast\";N;s:10:\"\u0000*\u0000aufirst\";N;s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";N;s:9:\"\u0000*\u0000aucorp\";N;s:7:\"\u0000*\u0000isbn\";N;s:8:\"\u0000*\u0000coden\";N;s:8:\"\u0000*\u0000genre\";N;s:7:\"\u0000*\u0000part\";N;s:9:\"\u0000*\u0000btitle\";N;s:8:\"\u0000*\u0000title\";N;s:8:\"\u0000*\u0000place\";N;s:6:\"\u0000*\u0000pub\";N;s:10:\"\u0000*\u0000edition\";N;s:9:\"\u0000*\u0000tpages\";N;s:9:\"\u0000*\u0000series\";N;s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";N;}"
Acceso mediante Unpaywall
"O:16:\"EuropePMCOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:31:\"10.1016\/j.commatsci.2012.10.014\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:100:\"Density functional theory study of FePdn (n = 2\u201514) clusters and interactions with small molecules\";s:9:\"\u0000*\u0000jtitle\";s:31:\"Computational materials science\";s:9:\"\u0000*\u0000stitle\";s:18:\"Comput. mater. sci\";s:7:\"\u0000*\u0000date\";s:4:\"2013\";s:9:\"\u0000*\u0000volume\";s:2:\"68\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:3:\"166\";s:8:\"\u0000*\u0000epage\";s:3:\"173\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0927-0256\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:5:\"LI MA\";s:10:\"\u0000*\u0000aufirst\";s:0:\"\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:14:\"JIANGUANG WANG\";i:1;s:12:\"YUANYUAN HAO\";i:2;s:13:\"GUANGHOU WANG\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:100:\"Density functional theory study of FePdn (n = 2\u201514) clusters and interactions with small molecules\";s:8:\"\u0000*\u0000place\";s:9:\"Amsterdam\";s:6:\"\u0000*\u0000pub\";s:8:\"Elsevier\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:1:\"8\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Acceso mediante Europe PubMed Central
"O:11:\"BaseOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:31:\"10.1016\/j.commatsci.2012.10.014\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:100:\"Density functional theory study of FePdn (n = 2\u201514) clusters and interactions with small molecules\";s:9:\"\u0000*\u0000jtitle\";s:31:\"Computational materials science\";s:9:\"\u0000*\u0000stitle\";s:18:\"Comput. mater. sci\";s:7:\"\u0000*\u0000date\";s:4:\"2013\";s:9:\"\u0000*\u0000volume\";s:2:\"68\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:3:\"166\";s:8:\"\u0000*\u0000epage\";s:3:\"173\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0927-0256\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:5:\"LI MA\";s:10:\"\u0000*\u0000aufirst\";s:0:\"\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:14:\"JIANGUANG WANG\";i:1;s:12:\"YUANYUAN HAO\";i:2;s:13:\"GUANGHOU WANG\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:100:\"Density functional theory study of FePdn (n = 2\u201514) clusters and interactions with small molecules\";s:8:\"\u0000*\u0000place\";s:9:\"Amsterdam\";s:6:\"\u0000*\u0000pub\";s:8:\"Elsevier\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:1:\"8\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Acceso mediante Base Search
"O:12:\"ArXivOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:31:\"10.1016\/j.commatsci.2012.10.014\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:100:\"Density functional theory study of FePdn (n = 2\u201514) clusters and interactions with small molecules\";s:9:\"\u0000*\u0000jtitle\";s:31:\"Computational materials science\";s:9:\"\u0000*\u0000stitle\";s:18:\"Comput. mater. sci\";s:7:\"\u0000*\u0000date\";s:4:\"2013\";s:9:\"\u0000*\u0000volume\";s:2:\"68\";s:8:\"\u0000*\u0000issue\";s:0:\"\";s:8:\"\u0000*\u0000spage\";s:3:\"166\";s:8:\"\u0000*\u0000epage\";s:3:\"173\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0927-0256\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:5:\"LI MA\";s:10:\"\u0000*\u0000aufirst\";s:0:\"\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:3:{i:0;s:14:\"JIANGUANG WANG\";i:1;s:12:\"YUANYUAN HAO\";i:2;s:13:\"GUANGHOU WANG\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:100:\"Density functional theory study of FePdn (n = 2\u201514) clusters and interactions with small molecules\";s:8:\"\u0000*\u0000place\";s:9:\"Amsterdam\";s:6:\"\u0000*\u0000pub\";s:8:\"Elsevier\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:1:\"8\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Acceso mediante arXiv
