activity
20092023
most citedOptoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory

299 citations · 2.8k across the 45 of their papers we have counts for

collaborators
Showing 2012 · cond-mat.mtrl-sciShow all

5 papers · 2 filters

cond-mat.mtrl-sci2012★ 33 cited

Molecular Dynamics Studies of Dislocations in CdTe Crystals from a New Bond Order Potential

X. W. Zhou, D. K. Ward, B. M. Wong +2

Cd1-xZnxTe (CZT) crystals are the leading semiconductors for radiation detection, but their application is limited by the high cost of detector-grade materials. High crystal costs…

cond-mat.mtrl-sci2012★ 19 cited

Defect formation dynamics during CdTe overlayer growth

J. J. Chavez, D. K. Ward, B. M. Wong +7

The presence of atomic-scale defects at multilayer interfaces significantly degrades performance in CdTe-based photovoltaic technologies. The ability to accurately predict and unde…

cond-mat.mtrl-sci2012★ 22 cited

High-fidelity simulations of CdTe vapor deposition from a new bond-order potential-based molecular dynamics method

X. W. Zhou, D. Ward, B. M. Wong +8

CdTe has been a special semiconductor for constructing the lowest-cost solar cells and the CdTe-based Cd1-xZnxTe alloy has been the leading semiconductor for radiation detection ap…

cond-mat.mtrl-sci2012★ 23 cited

Melt-growth dynamics in CdTe crystals

X. W. Zhou, D. K. Ward, B. M. Wong +1

We use a new, quantum-mechanics-based bond-order potential (BOP) to reveal melt-growth dynamics and fine-scale defect formation mechanisms in CdTe crystals. Previous molecular dyna…

cond-mat.mtrl-sci2012★ 47 cited

Reversible, Opto-Mechanically Induced Spin-Switching in a Nanoribbon-Spiropyran Hybrid Material

Bryan M. Wong, Simon H. Ye, Greg O'Bryan

It has recently been shown that electronic transport in zigzag graphene nanoribbons becomes spin-polarized upon application of an electric field across the nanoribbon width. Howeve…