Two-dimensional Al2I2Se2: A promising anisotropic thermoelectric material

Titanium nitride halides monolayers: promising 2D anisotropic thermoelectric materials

(2020) Cong Wang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The effect of non-analytical corrections on the phononic thermal transport in InX (X = S, Se, Te) monolayers

(2020) Aamir Shafique et al.   Scientific Reports

Layered LaCuOSe : A Promising Anisotropic Thermoelectric Material

(2020) Ning Wang et al.   Physical Review Applied

Weighted Mobility

(2020) G. Jeffrey Snyder et al.   ADVANCED MATERIALS

The Thermoelectric Properties of Monolayer MAs2 (M = Ni, Pd and Pt) from First-Principles Calculations

(2020) Qiang-Lin Wei et al.   Nanomaterials

High-Throughput Screening for Advanced Thermoelectric Materials: Diamond-Like ABX2 Compounds

(2019) Ruoxi Li et al.   ACS Applied Materials & Interfaces

Design, growth and characterization of PbTe-based thermoelectric materials

(2019) Ching-Hua Su   PROGRESS IN CRYSTAL GROWTH AND CHARACTERIZATION OF MATERIALS

BoltzTraP2 , a program for interpolating band structures and calculating semi-classical transport coefficients

(2018) Georg K.H. Madsen et al.   COMPUTER PHYSICS COMMUNICATIONS

Engineering of charge carriers via a two-dimensional heterostructure to enhance the thermoelectric figure of merit

(2018) Guangqian Ding et al.   Nanoscale

Unusually low thermal conductivity of atomically thin 2D tellurium

(2018) Zhibin Gao et al.   Nanoscale

Liquid-like thermal conduction in intercalated layered crystalline solids

(2018) B. Li et al.   NATURE MATERIALS

Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency

(2018) Hangtian Zhu et al.   Nature Communications

Novel titanium nitride halide TiNX (X = F, Cl, Br) monolayers: potential materials for highly efficient excitonic solar cells

(2018) Yan Liang et al.   Journal of Materials Chemistry A

Orbital controlled band gap engineering of tetragonal BiFeO3 for optoelectronic applications

(2018) L. Qiao et al.   Journal of Materials Chemistry C

High Thermoelectric Performance Originating from the Grooved Bands in the ZrSe3 Monolayer

(2018) Zizhen Zhou et al.   ACS Applied Materials & Interfaces

Band-Gap Reduction in (BiCrO3)m/(BiFeO3)n Superlattices: Designing Low-Band-Gap Ferroelectrics

(2018) S. Zhang et al.   Physical Review Applied

Orbitally driven low thermal conductivity of monolayer gallium nitride (GaN) with planar honeycomb structure: a comparative study

(2017) Zhenzhen Qin et al.   Nanoscale

Buckled two-dimensional Xene sheets

(2017) Alessandro Molle et al.   NATURE MATERIALS

High electron mobility and quantum oscillations in non-encapsulated ultrathin semiconducting Bi2O2Se

(2017) Jinxiong Wu et al.   Nature Nanotechnology

Thermoelectric properties of two-dimensional transition metal dichalcogenides

(2017) Gang Zhang et al.   Journal of Materials Chemistry C

Computational Prediction of High Thermoelectric Performance in Hole Doped Layered GeSe

(2016) Shiqiang Hao et al.   CHEMISTRY OF MATERIALS

SnSe: a remarkable new thermoelectric material

(2016) Li-Dong Zhao et al.   Energy & Environmental Science

2D materials and van der Waals heterostructures

(2016) K. S. Novoselov et al.   SCIENCE

Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment

(2016) Wei Chen et al.   Journal of Materials Chemistry C

Hybridized nanogenerator for simultaneously scavenging mechanical and thermal energies by electromagnetic-triboelectric-thermoelectric effects

(2016) Xue Wang et al.   Nano Energy

On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

(2016) Jiong Yang et al.   npj Computational Materials

Band Degeneracy, Low Thermal Conductivity, and High Thermoelectric Figure of Merit in SnTe–CaTe Alloys

(2015) Rabih Al Rahal Al Orabi et al.   CHEMISTRY OF MATERIALS

Thermoelectric properties of single-layered SnSe sheet

(2015) Fancy Qian Wang et al.   Nanoscale

Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites

(2015) Yinglu Tang et al.   NATURE MATERIALS

Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe

(2015) L.-D. Zhao et al.   SCIENCE

Connecting Thermoelectric Performance and Topological-Insulator Behavior:Bi2Te3andBi2Te2Sefrom First Principles

(2015) Hongliang Shi et al.   Physical Review Applied

ShengBTE: A solver of the Boltzmann transport equation for phonons

(2014) Wu Li et al.   COMPUTER PHYSICS COMMUNICATIONS

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals

(2014) Li-Dong Zhao et al.   NATURE

Importance of relativistic effects in electronic structure and thermopower calculations forMg2Si,Mg2Ge, andMg2Sn

(2014) K. Kutorasinski et al.   PHYSICAL REVIEW B

Single-layer Group-IVB nitride halides as promising photocatalysts

(2014) Jian Liu et al.   Journal of Materials Chemistry A

A Promising Mid-Temperature Thermoelectric Material Candidate: Pb/Sn-Codoped In4PbxSnySe3

(2013) Zhi-Sheng Lin et al.   ADVANCED MATERIALS

Thermoelectric Properties of a Monolayer Bismuth

(2013) Long Cheng et al.   Journal of Physical Chemistry C

Strain Effects To Optimize Thermoelectric Properties of Doped Bi2O2Se via Tran–Blaha Modified Becke–Johnson Density Functional Theory

(2013) Donglin Guo et al.   Journal of Physical Chemistry C

Lone pair electrons minimize lattice thermal conductivity

(2012) Michele D. Nielsen et al.   Energy & Environmental Science

High thermoelectric figure of merit in heavy hole dominated PbTe

(2011) Yanzhong Pei et al.   Energy & Environmental Science

Nanostructured Thermoelectrics: Big Efficiency Gains from Small Features

(2010) Christopher J. Vineis et al.   ADVANCED MATERIALS

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

Thermal conductivity in metallic nanostructures at high temperature: Electrons, phonons, and the Wiedemann-Franz law

(2010) N. Stojanovic et al.   PHYSICAL REVIEW B

Complex thermoelectric materials

(2008) G. Jeffrey Snyder et al.   NATURE MATERIALS

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

Intrinsically Minimal Thermal Conductivity in CubicI−V−VI2Semiconductors

(2008) D. T. Morelli et al.   PHYSICAL REVIEW LETTERS

Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems

(2008) Lon E. Bell   SCIENCE

Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States

(2008) J. P. Heremans et al.   SCIENCE