152 citations · 420 across the 11 of their papers we have counts for
5 papers · 1 filter
Chemomechanical Origin of Hydrogen Trapping at Grain Boundaries in FCC Metals
Xiao Zhou, Daniel Marchand, David L. McDowell +2
Hydrogen embrittlement of metals is widely observed, but its atomistic origins remain little understood and much debated. Combining a unique identification of interstitial sites th…
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…
Covalent pathways in engineering h-BN supported graphene
Bin Ouyang, Jun Song
Cross-planar di-vacancies (CPDVs) within stacked graphene hexagonal boron nitride (h-BN) heterostructures provide stabilized covalent links to bridge adjacent graphene and h-BN she…