497 citations · 711 across the 6 of their papers we have counts for
6 papers
Comparative study of phonon spectrum and thermal expansion of graphene, silicene, germanene and blue phosphorene
Xu-Jin Ge, Kai-Lun Yao, Jing-Tao Lü
Based on first-principles calculation using density functional theory, we study the vibrational properties and thermal expansion of mono-atomic two-dimensional honeycomb lattices:…
Monolayer MXenes: promising half-metals and spin gapless semiconductors
Guoying Gao, Guangqian Ding, Jie Li +3
Half-metals and spin gapless semiconductors are promising candidates for spintronic applications due to the complete (100%) spin polarization of electrons around the Fermi level. B…
Thermoelectric transport in monolayer SnSe from first-principles calculations
Guangqian Ding, Guoying Gao, KailunYao
Electron-crystal and phonon-glass are regarded as two essential factors for ideal thermoelectric materials, which require both an enhanced electronic transport and a depressed phon…
Examining the thermal conductivity of half-Heusler alloy TiNiSn by first-principles calculations
Guangqian Ding, G. Y. Gao, K. L. Yao
The thermoelectric properties of half-Heusler alloy TiNiSn have been studied for decade, however, theoretical report on its thermal conductivity is still little known, because it i…
High-efficient thermoelectric materials: The case of orthorhombic IV-VI compounds
Guangqian Ding, Guoying Gao, Kailun Yao
Improving the thermoelectric efficiency is one of the greatest challenges in materials science. The recent discovery of excellent thermoelectric performance in simple orthorhombic…
Enhancing thermoelectric figure-of-merit by low-dimensional electrical transport in phonon-glass crystals
Xue-Ya Mi, Xiaoxiang Yu, Kai-Lun Yao +3
Low-dimensional electronic and glassy phononic transport are two important ingredients of highly-efficient thermoelectric material, from which two branches of the thermoelectric re…