2 papers
physics.comp-ph2016
New record of high ZT found in hybrid transition-metal-dichalcogenides
Yulou Ouyang, Yuee Xie, Zhongwei Zhang +2
The search for thermoelectrics with higher figures of merit (ZT) will never stop due to the demand of heat harvesting. Single layer transition metal dichalcogenides (TMD), namely M…
cond-mat.mtrl-sci2014
A first-principles investigation of the equation of states and molecular "weak spots" of -cyclotetramethylene tetranitramine (HMX)
Qing Peng, Suvranu De
We investigate the equation of states of the -polymorph of cyclotetramethylene tetranitramine (HMX) energetic molecular crystal using DFT-D2, a first-principles calculation base…