activity
20122026
most citedQuasiparticle spectra from a non-empirical optimally-tuned range-separated hybrid density functional

306 citations · 2.2k across the 39 of their papers we have counts for

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Showing 2020Show all

4 papers · 1 filter

cond-mat.mes-hall2020★ 150 cited

How Substitutional Point Defects in Two-Dimensional WS Induce Charge Localization, Spin-Orbit Splitting, and Strain

Bruno Schuler, Jun-Ho Lee, Christoph Kastl +13

Control of impurity concentrations in semiconducting materials is essential to device technology. Because of their intrinsic confinement, the properties of two-dimensional semicond…

cond-mat.mtrl-sci2020★ 7 cited

Layer-dependent Quasiparticle Electronic Structure of the P3HT:PCBM Interface from A First-Principles Substrate Screening Approach

Olugbenga Adeniran, Sivan Refaely-Abramson, Zhen-Fei Liu

A prototypical organic photovoltaic material is a heterojunction composed of the blend of regioregular poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C-butyric acid methyl e…

cond-mat.mtrl-sci2020★ 46 cited

Quantum phase transitions of tri-layer excitons in atomically thin heterostructures

Yevgeny Slobodkin, Yotam Mazuz-Harpaz, Sivan Refaely-Abramson +3

We determine the zero temeperature phase diagram of excitons in the symmetric transition-metal dichalcogenide tri-layer heterosctructure WSe2/MoSe2/WSe2. First principle calculatio…

cond-mat.mtrl-sci2020★ 112 cited

The bright side of defects in MoS and WS and a generalizable chemical treatment protocol for defect passivation

Hope M. Bretscher, Zhaojun Li, James Xiao +12

Structural defects are widely regarded as detrimental to the optoelectronic properties of monolayer transition metal dichalcogenides, leading to concerted efforts to eliminate defe…