DFT modeling of silver disorder and mobility in the semiconductor cluster [Ag28S26(P(O)PhOMe)12(PPh3) 12]

Chemistry - A European Journal

Volumn 14, Issue 1, 2008, Pages 319-324

  Crawford, Nathan R M ^a   Schrodt, Claudia ^a   Rothenberger, Alexander ^b,c   Shi, Weifeng ^b   Ahlrichs, Reinhart ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF KARLSRUHE   (Germany)

^c KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

Clusters; Crystallographic; Density functional calculations; Disorder; Molecular dynamics; Semiconductors; Silver sulfide

Indexed keywords

CHALCOGENIDES; CONFORMATIONS; CRYSTAL STRUCTURE; ELECTRON MOBILITY; MOLECULAR DYNAMICS; SEMICONDUCTOR MATERIALS;

CATION MOBILITY; SYMMETRIC CONFORMER; X-RAY STRUCTURE;

DENSITY FUNCTIONAL THEORY;

EID: 38049187365     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200701119     Document Type: Article

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