153 citations · 278 across the 7 of their papers we have counts for
7 papers
Atom probe analysis of BaTiO3 enabled by metallic shielding
Se-Ho Kim, Kihyun Shin, Xuyang Zhou +6
Atom probe tomography has been raising in prominence as a microscopy and microanalysis technique to gain sub-nanoscale information from technologically-relevant materials. However,…
Atomistic mechanisms of binary alloy surface segregation from nanoseconds to seconds using accelerated dynamics
Richard B. Garza, Jiyoung Lee, Mai H. Nguyen +6
Although the equilibrium composition of many alloy surfaces is well understood, the rate of transient surface segregation during annealing is not known, despite its crucial effect…
PTCDA molecular monolayer on Pb thin films: An unusual π-electron Kondo system and its interplay with a quantum-confined superconductor
Shuangzan Lu, Hyoungdo Nam, Penghao Xiao +13
The hybridization of magnetism and superconductivity has been an intriguing playground for correlated electron systems, hosting various novel physical phenomena. Usually, localized…
One-dimensional van der Waals heterostructures as efficient metal-free oxygen electrocatalysts
Chang Liu, Fei Liu, Hao Li +11
Two-dimensional covalent organic frameworks (2D-COFs) are an emerging family of catalytical materials with well-defined molecular structures. The stacking of 2D nanosheets and larg…
First Principles Study of Photo-oxidation Degradation Mechanisms in P3HT for Organic Solar Cells
Na Sai, Kevin Leung, Judit Zádor +1
We present a theoretical study of degradation mechanisms for photoinduced oxidation in organic polymers in the condensed phase, using poly(3-hexylthiophene)(P3HT) as an example. Ap…
Interfacial adhesion between graphene and silicon dioxide by density functional theory with van der Waals corrections
Wei Gao, Penghao Xiao, Graeme Henkelman +2
Interfacial adhesion between graphene and a SiO2 substrate is studied by density functional theory (DFT) with dispersion corrections. The results demonstrate the van der Waals (vdW…