Site-dependent free energy barrier for proton reduction on MoS2 edges

Journal of Physical Chemistry C

Volumn 117, Issue 42, 2013, Pages 21772-21777

  Choi, Woon Ih ^a   Wood, Brandon C ^a   Schwegler, Eric ^a   Ogitsu, Tadashi ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BINDING ENERGY; BINDING SITES; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; FREE ENERGY; LAYERED SEMICONDUCTORS; MOLYBDENUM; MOLYBDENUM COMPOUNDS; REACTION KINETICS; SOLVATION; SUBSTRATES; SURFACE RELAXATION;

ADIABATIC FREE ENERGY SURFACE; ANDERSON-NEWNS MODEL; ELECTRONIC ORBITALS; GAS PHASE ADSORPTION; POSITIVE CHARGES; REACTION ENERGETICS; SOLVATION ENERGY; SOLVENT FLUCTUATIONS;

SULFUR COMPOUNDS;

EID: 84886674021     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp405354u     Document Type: Article

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