Electronic, transport, and optical properties of bulk and mono-layer PdSe2

Transport properties of cubic crystalline Ge2Sb2Te5: A potential low-temperature thermoelectric material

(2015) Jifeng Sun et al.   APPLIED PHYSICS LETTERS

Ba2TeO as an optoelectronic material: First-principles study

(2015) Jifeng Sun et al.   JOURNAL OF APPLIED PHYSICS

Not your familiar two dimensional transition metal disulfide: structural and electronic properties of the PdS2 monolayer

(2015) Yu Wang et al.   Journal of Materials Chemistry C

Emerging Device Applications for Semiconducting Two-Dimensional Transition Metal Dichalcogenides

(2014) Deep Jariwala et al.   ACS Nano

An atlas of two-dimensional materials

(2014) Pere Miró et al.   CHEMICAL SOCIETY REVIEWS

Electronic and thermoelectric properties of few-layer transition metal dichalcogenides

(2014) Darshana Wickramaratne et al.   JOURNAL OF CHEMICAL PHYSICS

Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene

(2013) Sheneve Z. Butler et al.   ACS Nano

Enhancing the Thermoelectric Properties of Layered Transition-Metal Dichalcogenides 2H-MQ2 (M = Mo, W; Q = S, Se, Te) by Layer Mixing: Density Functional Investigation

(2013) Changhoon Lee et al.   CHEMISTRY OF MATERIALS

Thermoelectric performance of MX2 (M = Mo,W; X = S,Se) monolayers

(2013) Wen Huang et al.   JOURNAL OF APPLIED PHYSICS

Density Functional Theory and Beyond for Band-Gap Screening: Performance for Transition-Metal Oxides and Dichalcogenides

(2013) Wenqing Li et al.   Journal of Chemical Theory and Computation

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

(2013) Manish Chhowalla et al.   Nature Chemistry

Quasiparticle band structures and optical properties of strained monolayer MoS2and WS2

(2013) Hongliang Shi et al.   PHYSICAL REVIEW B

Two-Dimensional Materials from Data Filtering andAb InitioCalculations

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

Solvent Exfoliation of Transition Metal Dichalcogenides: Dispersibility of Exfoliated Nanosheets Varies Only Weakly between Compounds

(2012) Graeme Cunningham et al.   ACS Nano

Atomically Thick Bismuth Selenide Freestanding Single Layers Achieving Enhanced Thermoelectric Energy Harvesting

(2012) Yongfu Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Electronic structure of a single MoS2 monolayer

(2012) Eugene S. Kadantsev et al.   SOLID STATE COMMUNICATIONS

Influence of quantum confinement on the electronic structure of the transition metal sulfideTS2

(2011) A. Kuc et al.   PHYSICAL REVIEW B

Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials

(2011) J. N. Coleman et al.   SCIENCE

Potential Thermoelectric Performance from Optimization of Hole-DopedBi2Se3

(2011) David Parker et al.   Physical Review X

Mechanically-exfoliated stacks of thin films of Bi2Te3 topological insulators with enhanced thermoelectric performance

(2010) V. Goyal et al.   APPLIED PHYSICS LETTERS

MD simulations of molybdenum disulphide (MoS2): Force-field parameterization and thermal transport behavior

(2010) Vikas Varshney et al.   COMPUTATIONAL MATERIALS SCIENCE

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

High-temperature thermoelectric performance of heavily doped PbSe

(2010) David Parker et al.   PHYSICAL REVIEW B

Structural and electronic properties of the pseudo-binary compounds (, S and Se)

(2009) A. Hamidani et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Electronic structure and thermoelectric properties of layeredPbSe-WSe2materials

(2009) Lijun Zhang et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS