Energetics, charge transfer, and magnetism of small molecules physisorbed on phosphorene

Journal of Physical Chemistry C

Volumn 119, Issue 6, 2015, Pages 3102-3110

  Cai, Yongqing ^a   Ke, Qingqing ^b   Zhang, Gang ^a   Zhang, Yong Wei ^a  

^a INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; BINDING ENERGY; CALCULATIONS; DENSITY FUNCTIONAL THEORY; GRAPHENE; HYDROGEN STORAGE; MAGNETIC MOMENTS; MOLECULES; NITROGEN OXIDES;

AMBIENT CONDITIONS; DISPERSION-CORRECTED DENSITY FUNCTIONAL; FIRST-PRINCIPLES CALCULATION; FRONTIER ORBITALS; HYDROGEN MOLECULE; NO MOLECULE; PHYSISORBED MOLECULES; SMALL MOLECULES;

CHARGE TRANSFER;

EID: 84923169324     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp510863p     Document Type: Article

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