55 citations · 55 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2019
Diabatic Hamiltonian Construction in van der Waals heterostructure complexes
Yu Xie, Huijuan Sun, Qijing Zheng +3
A diabatization method is developed for the approximated description of the photoinduced charge separation/transfer processes in the van der Waals (vdW) heterostructure complex, wh…
cond-mat.mtrl-sci2015★ 55 cited
Comparing quasiparticle HO level alignment on anatase and rutile TiO
Huijuan Sun, Duncan J. Mowbray, Annapaola Migani +3
Knowledge of the molecular frontier levels' alignment in the ground state can be used to predict the photocatalytic activity of an interface. The position of the adsorbate's highes…