Shaping the role of germanium vacancies in germanium telluride: metastable cubic structure stabilization, band structure modification, and stable N-type conduction

Manipulating the Ge Vacancies and Ge Precipitates through Cr Doping for Realizing the High‐Performance GeTe Thermoelectric Material

(2020) Jing Shuai et al.   Small

Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance

(2019) Hangtian Zhu et al.   Nature Communications

Superior performance and high service stability for GeTe-based thermoelectric compounds

(2019) Tong Xing et al.   National Science Review

Realization of Both n- and p-Type GeTe Thermoelectrics: Electronic Structure Modulation by AgBiSe2 Alloying

(2019) Manisha Samanta et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Realizing zT of 2.3 in Ge1− x − y Sb x In y Te via Reducing the Phase-Transition Temperature and Introducing Resonant Energy Doping

(2018) Min Hong et al.   ADVANCED MATERIALS

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

(2018) Danny Broberg et al.   COMPUTER PHYSICS COMMUNICATIONS

Boosting the thermoelectric performance of PbSe through dynamic doping and hierarchical phonon scattering

(2018) Li You et al.   Energy & Environmental Science

Thermoelectric properties of p-type cubic and rhombohedral GeTe

(2018) Guangzong Xing et al.   JOURNAL OF APPLIED PHYSICS

Rhombohedral to Cubic Conversion of GeTe via MnTe Alloying Leads to Ultralow Thermal Conductivity, Electronic Band Convergence, and High Thermoelectric Performance

(2018) Zheng Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nano-microstructural control of phonon engineering for thermoelectric energy harvesting

(2018) Zihang Liu et al.   MRS BULLETIN

Phase-transition temperature suppression to achieve cubic GeTe and high thermoelectric performance by Bi and Mn codoping

(2018) Zihang Liu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Self-compensation induced vacancies for significant phonon scattering in InSb

(2018) Jun Mao et al.   Nano Energy

Vacancy manipulation for thermoelectric enhancements in GeTe alloys

(2018) Xinyue Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thermoelectric materials and applications for energy harvesting power generation

(2018) Ioannis Petsagkourakis et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Novel Principles and Nanostructuring Methods for Enhanced Thermoelectrics

(2017) Takao Mori   Small

Electronic origin of the high thermoelectric performance of GeTe among the p-type group IV monotellurides

(2017) Juan Li et al.   NPG Asia Materials

Nano-micro-porous skutterudites with 100% enhancement in ZT for high performance thermoelectricity

(2017) Atta U. Khan et al.   Nano Energy

Computationally guided discovery of thermoelectric materials

(2017) Prashun Gorai et al.   Nature Reviews Materials

Isotropic Conduction Network and Defect Chemistry in Mg3+δSb2-Based Layered Zintl Compounds with High Thermoelectric Performance

(2016) Hiromasa Tamaki et al.   ADVANCED MATERIALS

Recent advances in high-performance bulk thermoelectric materials

(2016) X. Shi et al.   INTERNATIONAL MATERIALS REVIEWS

Magnetoelectric interaction and transport behaviours in magnetic nanocomposite thermoelectric materials

(2016) Wenyu Zhao et al.   Nature Nanotechnology

Understanding and manipulating the intrinsic point defect in α-MgAgSb for higher thermoelectric performance

(2016) Zihang Liu et al.   Journal of Materials Chemistry A

Interstitial Point Defect Scattering Contributing to High Thermoelectric Performance in SnTe

(2016) Yanzhong Pei et al.   Advanced Electronic Materials

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

(2016) Jiong Yang et al.   npj Computational Materials

High Thermoelectric Performance SnTe–In2Te3 Solid Solutions Enabled by Resonant Levels and Strong Vacancy Phonon Scattering

(2015) Gangjian Tan et al.   CHEMISTRY OF MATERIALS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Significant Roles of Intrinsic Point Defects in Mg2X(X= Si, Ge, Sn) Thermoelectric Materials

(2015) Xiaohua Liu et al.   Advanced Electronic Materials

Point Defect Engineering of High-Performance Bismuth-Telluride-Based Thermoelectric Materials

(2014) Lipeng Hu et al.   ADVANCED FUNCTIONAL MATERIALS

Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi2Te3 Doping

(2014) Di Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2014) Li-Dong Zhao et al.   NATURE

Electrostatics-based finite-size corrections for first-principles point defect calculations

(2014) Yu Kumagai et al.   PHYSICAL REVIEW B

Controlling Metallurgical Phase Separation Reactions of the Ge0.87Pb0.13Te Alloy for High Thermoelectric Performance

(2013) Yaniv Gelbstein et al.   Advanced Energy Materials

Role of vacancies in metal–insulator transitions of crystalline phase-change materials

(2012) W. Zhang et al.   NATURE MATERIALS

ExtractingEversusk⃗effective band structure from supercell calculations on alloys and impurities

(2012) Voicu Popescu et al.   PHYSICAL REVIEW B

Convergence of electronic bands for high performance bulk thermoelectrics

(2011) Yanzhong Pei et al.   NATURE

Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit

(2009) Axel van de Walle   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY