High-Temperature Thermoelectric Monolayer Bi2TeSe2 with High Power Factor and Ultralow Thermal Conductivity

Spin orbit coupling induced enhancement of thermoelectric performance of HfX2 (X = S, Se) and its Janus monolayer

(2021) Jayanta Bera et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Janus Al2STe monolayer: A prospective thermoelectric material

(2021) Gurpal Singh Khosa et al.   SOLID STATE COMMUNICATIONS

Boosting Thermoelectric Performance of 2D Transition-Metal Dichalcogenides by Complex Cluster Substitution: The Role of Octahedral Au6 Clusters

(2021) Ning Wang et al.   ACS Applied Energy Materials

Layered LaCuOSe : A Promising Anisotropic Thermoelectric Material

(2020) Ning Wang et al.   Physical Review Applied

Fluoride ion batteries: Designing flexible M2CH2 (M=Ti or V) MXenes as high-capacity cathode materials

(2020) Xiao-Yong Yang et al.   Nano Energy

High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (X = Se and Te)

(2020) Abhishek Patel et al.   ACS Applied Materials & Interfaces

Leveraging Deep Levels in Narrow Bandgap Bi 0.5 Sb 1.5 Te 3 for Record‐High zT ave Near Room Temperature

(2020) Lipeng Hu et al.   ADVANCED FUNCTIONAL MATERIALS

Highly in-plane anisotropic 2D semiconductors β-AuSe with multiple superior properties: a first-principles investigation

(2019) Peng-Lai Gong et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Layered oxygen-containing thermoelectric materials: Mechanisms, strategies, and beyond

(2019) Guang-Kun Ren et al.   Materials Today

Thermoelectric performance of monolayer Bi2Te2Se of ultra low lattice thermal conductivity

(2019) Bin Xu et al.   PHYSICS LETTERS A

Phonon thermal transport in Janus single layer M2XY (M = Ga; X, Y = S, Se, Te): A study based on first-principles

(2019) Qi Zhong et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

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

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

Bipolar Conduction as the Possible Origin of the Electronic Transition in Pentatellurides: Metallic vs Semiconducting Behavior

(2018) P. Shahi et al.   Physical Review X

Accelerating evaluation of converged lattice thermal conductivity

(2018) Guangzhao Qin et al.   npj Computational Materials

Metal and ligand effects on the stability and electronic properties of crystalline two-dimensional metal-benzenehexathiolate coordination compounds

(2018) Liang-Po Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Tunable Magnetism and Extraordinary Sunlight Absorbance in Indium Triphosphide Monolayer

(2017) Naihua Miao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys

(2017) Tribhuwan Pandey et al.   NANOTECHNOLOGY

Investigation of the bipolar effect in the thermoelectric material CaMg2Bi2 using a first-principles study

(2016) J. J. Gong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Layered Bi2Se3 Nanoplate/Polyvinylidene Fluoride Composite Based n-type Thermoelectric Fabrics

(2015) Chaochao Dun et al.   ACS Applied Materials & Interfaces

Thermoelectric properties of SnSe compound

(2015) Xinhong Guan et al.   JOURNAL OF ALLOYS AND COMPOUNDS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

ShengBTE: A solver of the Boltzmann transport equation for phonons

(2014) Wu Li et al.   COMPUTER PHYSICS COMMUNICATIONS

Enhanced Thermoelectric Efficiency via Orthogonal Electrical and Thermal Conductances in Phosphorene

(2014) Ruixiang Fei et al.   NANO LETTERS

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

(2014) Li-Dong Zhao et al.   NATURE

All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance

(2013) L. D. Zhao et al.   Energy & Environmental Science

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

Convergence of electronic bands for high performance bulk thermoelectrics

(2011) Yanzhong Pei et al.   NATURE

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

VESTA: a three-dimensional visualization system for electronic and structural analysis

(2008) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Complex thermoelectric materials

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

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

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