Dalal K. Kanan, Ph.D.

Affiliations: 
2013 Chemistry Princeton University, Princeton, NJ 
Area:
theoretical chemistry
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"Dalal Kanan"
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Emily Ann Carter grad student 2013 Princeton
 (Methods and Strategies for the Ab Initio Design of Novel Manganese Oxide- Based Water Splitting Photocatalyst Materials.)
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Publications

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Kanan DK, Keith JA, Carter EA. (2014) First-Principles Modeling of Electrochemical Water Oxidation on MnO:ZnO(001) Chemelectrochem. 1: 407-415
Kanan DK, Carter EA. (2013) Ab initio study of electron and hole transport in pure and doped MnO and MnO:ZnO alloy Journal of Materials Chemistry A. 1: 9246-9256
Kanan DK, Carter EA. (2013) Optical excitations in MnO and MnO:ZnO via embedded CASPT2 theory and their implications for solar energy conversion Journal of Physical Chemistry C. 117: 13816-13826
Kanan DK, Keith JA, Carter EA. (2013) Water adsorption on MnO:ZnO(001) - From single molecules to bilayer coverage Surface Science. 617: 218-224
Kanan DK, Carter EA. (2012) Band gap engineering of MnO via ZnO alloying: A potential new visible-light photocatalyst Journal of Physical Chemistry C. 116: 9876-9887
Kanan DK, Sharifzadeh S, Carter EA. (2012) Quantum mechanical modeling of electronic excitations in metal oxides: Magnesia as a prototype Chemical Physics Letters. 519: 18-24
Toroker MC, Kanan DK, Alidoust N, et al. (2011) First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes. Physical Chemistry Chemical Physics : Pccp. 13: 16644-54
Toroker MC, Kanan D, Alidoust N, et al. (2011) Ab-initio calculation of band positions for transition metal oxides reveals potential materials for photoelectrochemistry Acs National Meeting Book of Abstracts
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