activity
20042023
most citedInterfacial adhesion between graphene and silicon dioxide by density functional theory with van der Waals corrections

153 citations · 278 across the 7 of their papers we have counts for

collaborators
Showing 2014Show all

2 papers · 1 filter

cond-mat.mtrl-sci2014★ 80 cited

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…

cond-mat.mtrl-sci2014★ 153 cited

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…