Single-site and monolayer surface hydration energy of anatase and rutile nanoparticles using density functional theory

Journal of Physical Chemistry C

Volumn 117, Issue 49, 2013, Pages 26084-26090

  Hummer, Daniel R ^a,c   Kubicki, James D ^a   Kent, Paul R C ^b   Heaney, Peter J ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY MINIMIZATION; HYDRATION ENERGIES; LOW-TEMPERATURE AQUEOUS SOLUTIONS; MONOLAYER SURFACE; OPTIMIZED STRUCTURES; RUTILE PARTICLES; SURFACE HYDRATION; SURFACE MONOLAYERS;

DENSITY FUNCTIONAL THEORY; HYDRATION; HYDROGEN BONDS; MOLECULES; NANOPARTICLES; OPTIMIZATION; OXIDE MINERALS;

TITANIUM DIOXIDE;

EID: 84890447603     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp408345v     Document Type: Article

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