20 results on '"Liang, WanZhen"'
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2. Exploring the photocatalytic properties and carrier dynamics of 2D Janus XMMX′ (X = S, Se; M = Ga, In; and X′ = Te) materials
3. Influence of intrinsic defects on the structure and dynamics of the mixed Pb–Sn perovskite: first-principles DFT and NAMD simulations
4. Nonlinear features of Fano resonance: a QM/EM study
5. Correction: Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulations
6. Understanding the Mechanism of Plasmon-Driven Water Splitting: Hot Electron Injection and Near Field Enhancement Effects
7. Potassium doping-induced variations in the structures and photoelectric properties of a MAPbI3 perovskite and a MAPbI3/TiO2 junction
8. Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulations
9. Analysis and visualization of energy densities. II. Insights from linear-response time-dependent density functional theory calculations
10. Unveiling the effect of electron tunneling on the plasmonic resonance of closely spaced gold particles
11. Structure and property tunability in monolayer halide lead-free double hybrid perovskites: effects of Rashba and biaxial strain
12. Lead-free low-dimensional tin halide perovskites with functional organic spacers: breaking the charge-transport bottleneck
13. The effect of moisture on the structures and properties of lead halide perovskites: a first-principles theoretical investigation
14. How does the plasmonic enhancement of molecular absorption depend on the energy gap between molecular excitation and plasmon modes: a mixed TDDFT/FDTD investigation
15. Mechanisms of large Stokes shift and aggregation-enhanced emission of osmapentalyne cations in solution: combined MD simulations and QM/MM calculations
16. A computational view of the change in the geometric and electronic properties of perovskites caused by the partial substitution of Pb by Sn
17. Tuning the energy band-gap of crystalline gallium oxide to enhance photocatalytic water splitting: mixed-phase junctions
18. Charge transfer in organic molecules for solar cells: theoretical perspective
19. Identification of the mechanism of enhanced exciton interaction in rigidly linked naphthalene dimers
20. Advances in methods and algorithms in a modern quantum chemistry program package
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