The electronic structures of two mixed valence insulators YbB 6 and YbB 12 are studied by using the local density approximation supplemented with the Gutzwiller method and …
J Romanos, M Beckner, D Stalla, A Tekeei, G Suppes… - Carbon, 2013 - Elsevier
We report Fourier transform infrared spectroscopy (FTIR) studies of boron-doped activated carbons. The functional groups for hydrogen adsorption in these materials, the boron-related …
Density functional theory is demonstrated to reproduce the 13 C and 11 B NMR chemical shifts of icosahedral boron carbides with sufficient accuracy to extract previously unresolved …
J Liu, S Wen, Y Hou, F Zuo… - Angewandte Chemie …, 2013 - Wiley Online Library
Solar-powered photocatalytic and photoelectrochemical (PEC) water splitting provide two promising strategies to produce hydrogen for future energy needs. Currently, most …
Gibbs free-energy calculations based on density functional theory have been used to determine the possible source of failure of boron carbide just above the Hugoniot elastic …