Theoretical Study of Pt Cocatalyst Loading on Anatase TiO2(101) Surface: From Surface Doping to Interface Forming
Intermolecular Hydroamination of 1,3-Dienes Catalyzed by Bis(phosphine)carbodicarbene–Rhodium Complexes
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