Computational prediction and characterization of single-layer CrS2

Computational identification of single-layer CdO for electronic and optical applications

(2013) Houlong L. Zhuang et al.   APPLIED PHYSICS LETTERS

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting

(2013) Houlong L. Zhuang et al.   CHEMISTRY OF MATERIALS

Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts

(2013) Houlong L. Zhuang et al.   Journal of Physical Chemistry C

Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials

(2013) Marco Bernardi et al.   NANO LETTERS

Theoretical perspective of photocatalytic properties of single-layer SnS2

(2013) Houlong L. Zhuang et al.   PHYSICAL REVIEW B

Quasiparticle band structures and optical properties of strained monolayer MoS2and WS2

(2013) Hongliang Shi et al.   PHYSICAL REVIEW B

Computational discovery of single-layer III-V materials

(2013) Houlong L. Zhuang et al.   PHYSICAL REVIEW B

Strong Light-Matter Interactions in Heterostructures of Atomically Thin Films

(2013) L. Britnell et al.   SCIENCE

Two-Dimensional Materials from Data Filtering andAb InitioCalculations

(2013) S. Lebègue et al.   Physical Review X

Electronic structures of single-layer boron pnictides

(2012) Houlong L. Zhuang et al.   APPLIED PHYSICS LETTERS

Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure

(2012) C. Ataca et al.   Journal of Physical Chemistry C

Intrinsic Piezoelectricity in Two-Dimensional Materials

(2012) Karel-Alexander N. Duerloo et al.   Journal of Physical Chemistry Letters

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Strain-engineered artificial atom as a broad-spectrum solar energy funnel

(2012) Ji Feng et al.   Nature Photonics

Optical and energy-loss spectra of the antiferromagnetic transition metal oxides MnO, FeO, CoO, and NiO including quasiparticle and excitonic effects

(2012) Claudia Rödl et al.   PHYSICAL REVIEW B

Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides

(2012) Ashwin Ramasubramaniam   PHYSICAL REVIEW B

Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS2

(2012) Tawinan Cheiwchanchamnangij et al.   PHYSICAL REVIEW B

First-Principles Optical Spectra forFCenters in MgO

(2012) Patrick Rinke et al.   PHYSICAL REVIEW LETTERS

Valley-selective circular dichroism of monolayer molybdenum disulphide

(2012) Ting Cao et al.   Nature Communications

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Excitonic Effects on the Optical Response of Graphene and Bilayer Graphene

(2009) Li Yang et al.   PHYSICAL REVIEW LETTERS

Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium

(2009) S. Cahangirov et al.   PHYSICAL REVIEW LETTERS

Valley-dependent optoelectronics from inversion symmetry breaking

(2008) Wang Yao et al.   PHYSICAL REVIEW B

Fine Structure Constant Defines Visual Transparency of Graphene

(2008) R. R. Nair et al.   SCIENCE