25 citations · 37 across the 6 of their papers we have counts for
7 papers · 1 filter
Synthetic accessibility and stability rules of NASICONs
Bin Ouyang, Jingyang Wang, Tanjin He +6
In this paper we develop the stability rules for NASICON structured materials, as an example of compounds with complex bond topology and composition. By applying machine learning t…
MoS2 Heterostructure with Tunable Phase Stability: Strain Induced Interlayer Covalent Bond Formation
Bin Ouyang, Shiyun Xiong, Zhi Yang +2
Due to the distinguished properties offered by different structural phases of monolayer MoS2, phase engineering design are urgently required for achieving switchable structural pha…
The Role of Low-lying Optical Phonons in Lattice Thermal Conductance of Rare-earth Pyrochlores: A First-principle Study
Guoqiang Lan, Bin Ouyang, Jun Song
Rare-earth pyrochlores, commonly exhibiting anomalously low lattice thermal conductivities, are considered as promising topcoat materials for thermal barrier coatings. However the…
First-Principle Study of Dislocation Slips in Impurity Doped Graphene
Fanchao Meng, Bin Ouyang, Jun Song
Employing density-functional theory (DFT) calculations, the generalized-stacking-fault energy (GSFE) curves along two crystallographic slips, glide and shuffle, for both pristine g…
Energetics and kinetics of vacancies in monolayer graphene boron nitride heterostructures
Bin Ouyang, Fanchao Meng, Jun Song
Graphene and boron nitride (GPBN) heterostructures provide a viable way to realize tunable bandgap, promising new opportunities in graphene-based nanoelectronic and optoelectronic…
Energetics and kinetics of Li intercalation in irradiated graphene scaffolds
J. Song, B. Ouyang, N. V. Medhekar
In the present study we investigate the irradiation-defects hybridized graphene scaffold as one potential building material for the anode of Li-ion batteries. Designating the Wigne…