153 citations · 278 across the 7 of their papers we have counts for
5 papers · 1 filter
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…
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…