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20022025
most citedRestoring the density-gradient expansion for exchange in solids and surfaces

12k citations

Showing 2016 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci201639 cited

Nonlinear photoluminescence imaging of isotropic and liquid crystalline dispersions of graphene oxide

Bohdan Senyuk, Natnael Behabtu, Benjamin G. Pacheco +5

We report a visible-range nonlinear photoluminescence (PL) from graphene oxide (GO) flakes excited by near-infrared femtosecond laser light. PL intensity has nonlinear dependence o…

cond-mat.mtrl-sci201673 cited

Three-dimensional patterning of solid microstructures through laser reduction of colloidal graphene oxide in liquid-crystalline dispersions

Bohdan Senyuk, Natnael Behabtu, Angel Martinez +6

Graphene materials and structures have become an essential part of modern electronics and photovoltaics. However, despite many production methods, applications of graphene-based st…

cond-mat.mtrl-sci201645 cited

Earth-abundant and Non-toxic SiX (X=S, Se) Monolayers as Highly Efficient Thermoelectric Materials

Ji-Hui Yang, Qinghong Yuan, Huixiong Deng +2

Current thermoelectric (TE) materials often have low performance or contain less abundant and/or toxic elements, thus limiting their large-scale applications. Therefore, new TE mat…

cond-mat.mtrl-sci2016321 cited

Elasticity, Flexibility and Ideal Strength of Borophenes

Zhuhua Zhang, Yang Yang, Evgeni S. Penev +1

We study the mechanical properties of two-dimensional (2D) boron, borophenes, by first-principles calculations. The recently synthesized borophene with 1/6 concentration of hollow…

cond-mat.mtrl-sci201641 cited

Assessment of a nonempirical semilocal density functional on solids and surfaces

Yuxiang Mo, Roberto Car, Viktor N. Staroverov +2

Recently, Tao and Mo developed a new nonempirical semilocal exchange-correlation density functional. The exchange part of this functional is derived from a density matrix expansion…

cond-mat.mtrl-sci2016550 cited

Predicting Band Gaps with Hybrid Density Functionals

Alejandro J. Garza, Gustavo E. Scuseria

We compare the ability of four popular hybrid density functionals (B3LYP, B3PW91, HSE, and PBE0) for predicting band gaps of semiconductors and insulators over a large benchmark se…