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01 Apr 07:06

Interlayer-Expanded Molybdenum Disulfide Nanocomposites for Electrochemical Magnesium Storage

by Yanliang Liang, Hyun Deog Yoo, Yifei Li, Jing Shuai, Hector A. Calderon, Francisco Carlos Robles Hernandez, Lars C. Grabow and Yan Yao

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Nano Letters
DOI: 10.1021/acs.nanolett.5b00388
13 Oct 03:16

Theoretical Study of Pt Cocatalyst Loading on Anatase TiO2(101) Surface: From Surface Doping to Interface Forming

by Zong-Yan Zhao

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The Journal of Physical Chemistry C
DOI: 10.1021/jp508074e
22 Apr 06:13

Intermolecular Hydroamination of 1,3-Dienes Catalyzed by Bis(phosphine)carbodicarbene–Rhodium Complexes

by Matthew J. Goldfogel, Courtney C. Roberts and Simon J. Meek

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Journal of the American Chemical Society
DOI: 10.1021/ja502275w
28 Mar 07:03

Convergence of density and hybrid functional defect calculations for compound semiconductors

by Haowei Peng, David O. Scanlon, Vladan Stevanovic, Julien Vidal, Graeme W. Watson, and Stephan Lany

Author(s): Haowei Peng, David O. Scanlon, Vladan Stevanovic, Julien Vidal, Graeme W. Watson, and Stephan Lany

Recent revisions of defect formation energy calculations based on bandgap corrected hybrid functionals have raised concerns about the validity of earlier results based on standard density functionals and about the reliability of the theoretical prediction of electrical properties in semiconductor ma...

[Phys. Rev. B 88, 115201] Published Tue Sep 03, 2013