Insights into the design of thermoelectric Mg3Sb2 and its analogs by combining theory and experiment

Effective n-type doping of Mg3Sb2 with group-3 elements

(2019) Prashun Gorai et al.   JOURNAL OF APPLIED PHYSICS

Achieving band convergence by tuning the bonding ionicity in n‐type Mg 3 Sb 2

(2019) Xin Sun et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Significantly enhanced thermoelectric properties of p-type Mg 3 Sb 2 via co-doping of Na and Zn

(2018) Zhensong Ren et al.   ACTA MATERIALIA

Study on anisotropy of n-type Mg3Sb2-based thermoelectric materials

(2018) Shaowei Song et al.   APPLIED PHYSICS LETTERS

Enhancement of average thermoelectric figure of merit by increasing the grain-size of Mg3.2Sb1.5Bi0.49Te0.01

(2018) Tsutomu Kanno et al.   APPLIED PHYSICS LETTERS

Orbital alignment for high performance thermoelectric YbCd2Sb2 alloys

(2018) Xiao Wang et al.   CHEMISTRY OF MATERIALS

Enhanced thermoelectric performance in p-type Mg 3 Sb 2 via lithium doping

(2018) Hao Wang et al.   Chinese Physics B

Grain boundary dominated charge transport in Mg3Sb2-based compounds

(2018) Jimmy Jiahong Kuo et al.   Energy & Environmental Science

Isotropic Mg3Sb2 compound prepared by solid-state reaction and ball milling combined with spark plasma sintering

(2018) Feng Lv et al.   JOURNAL OF MATERIALS SCIENCE

Significant Role of Mg Stoichiometry in Designing High Thermoelectric Performance for Mg3(Sb,Bi)2-Based n-Type Zintls

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

Computational prediction of a high ZT of n-type Mg3Sb2-based compounds with isotropic thermoelectric conduction performance

(2018) Juan Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New Insight on Tuning Electrical Transport Properties via Chalcogen Doping in n-type Mg3 Sb2 -Based Thermoelectric Materials

(2018) Jiawei Zhang et al.   Advanced Energy Materials

Observation of valence band crossing: the thermoelectric properties of CaZn2Sb2–CaMg2Sb2 solid solution

(2018) Max Wood et al.   Journal of Materials Chemistry A

Investigation of n-type doping strategies for Mg3Sb2

(2018) Prashun Gorai et al.   Journal of Materials Chemistry A

Band engineering in Mg3Sb2 by alloying with Mg3Bi2 for enhanced thermoelectric performance

(2018) Kazuki Imasato et al.   Materials Horizons

Improving the thermoelectric performance in Mg3+xSb1.5Bi0.49Te0.01 by reducing excess Mg

(2018) Kazuki Imasato et al.   APL Materials

Crystal chemistry and thermoelectric transport of layered AM2X2 compounds

(2018) Wanyue Peng et al.   Inorganic Chemistry Frontiers

Enhanced thermoelectric performance of p-type Mg3Sb2 by lithium doping and its tunability in an anionic framework

(2018) Chen Chen et al.   JOURNAL OF MATERIALS SCIENCE

Thermal stability of Mg3Sb1.475Bi0.475Te0.05 high performance n-type thermoelectric investigated through powder X-ray diffraction and pair distribution function analysis

(2018) Lasse Rabøl Jørgensen et al.   Journal of Materials Chemistry A

Improved Stability and High Thermoelectric Performance Through Cation Site Doping in n-type La-doped Mg3Sb1.5Bi0.5

(2018) Kazuki Imasato et al.   Journal of Materials Chemistry A

Extraordinary thermoelectric performance in n-type manganese doped Mg3Sb2 Zintl: High band degeneracy, tuned carrier scattering mechanism and hierarchical microstructure

(2018) Xiaoxi Chen et al.   Nano Energy

Mg3+ δ Sb x Bi2− x Family: A Promising Substitute for the State-of-the-Art n-Type Thermoelectric Materials near Room Temperature

(2018) Rui Shu et al.   ADVANCED FUNCTIONAL MATERIALS

Inhomogeneity and anisotropy of chemical bonding and thermoelectric properties of materials

(2018) Yuri Grin   JOURNAL OF SOLID STATE CHEMISTRY

Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg3Sb2 and related materials

(2018) Jiawei Zhang et al.   Nature Communications

Tuning the carrier scattering mechanism to effectively improve the thermoelectric properties

(2017) Jing Shuai et al.   Energy & Environmental Science

Thermoelectric properties of EuZn 2 Sb 2 Zintl compounds: zT enhancement through Yb substitution for Eu

(2017) Y. Takagiwa et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg3Sb2-based materials

(2017) Jun Mao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Discovery of high-performance low-cost n-type Mg3Sb2-based thermoelectric materials with multi-valley conduction bands

(2017) Jiawei Zhang et al.   Nature Communications

Single parabolic band transport in p-type EuZn2Sb2 thermoelectrics

(2017) Xiao Wang et al.   Journal of Materials Chemistry A

Simultaneous improvement of power factor and thermal conductivity via Ag doping in p-type Mg3Sb2 thermoelectric materials

(2017) Lirong Song et al.   Journal of Materials Chemistry A

Deformation mechanisms in high-efficiency thermoelectric layered Zintl compounds

(2017) Guodong Li et al.   Journal of Materials Chemistry A

Thermoelectric properties of AMg2X2, AZn2Sb2 (A = Ca, Sr, Ba; X = Sb, Bi), and Ba2ZnX2 (X = Sb, Bi) Zintl compounds

(2017) Jifeng Sun et al.   Journal of Materials Chemistry A

Defect Engineering for Realizing High Thermoelectric Performance in n-Type Mg3Sb2-Based Materials

(2017) Jun Mao et al.   ACS Energy Letters

Effective mass and Fermi surface complexity factor from ab initio band structure calculations

(2017) Zachary M. Gibbs et al.   npj Computational 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

Thinking Like a Chemist: Intuition in Thermoelectric Materials

(2016) Wolfgang G. Zeier et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Thermoelectric properties of Zintl compound Ca1−xNaxMg2Bi1.98

(2016) Jing Shuai et al.   APPLIED PHYSICS LETTERS

Tuning the carrier concentration using Zintl chemistry in Mg3Sb2, and its implications for thermoelectric figure-of-merit

(2016) A. Bhardwaj et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Higher thermoelectric performance of Zintl phases (Eu0.5Yb0.5)1−xCaxMg2Bi2by band engineering and strain fluctuation

(2016) Jing Shuai et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Designing high-performance layered thermoelectric materials through orbital engineering

(2016) Jiawei Zhang et al.   Nature Communications

Thermoelectric properties of Bi-based Zintl compounds Ca1−xYbxMg2Bi2

(2016) Jing Shuai et al.   Journal of Materials Chemistry A

Thermoelectric properties of Na-doped Zintl compound: Mg 3− x Na x Sb 2

(2015) Jing Shuai et al.   ACTA MATERIALIA

Thermoelectric Properties of Zintl Phase Compounds of Ca1−x Eu x Zn2Sb2 (0 ≤ x ≤ 1)

(2015) Tessera Alemneh Wubieneh et al.   JOURNAL OF ELECTRONIC MATERIALS

Effect of manganese doping on the thermoelectric properties of Zintl phase EuCd2Sb2

(2015) Wumao MIN et al.   JOURNAL OF RARE EARTHS

Graphene boosts thermoelectric performance of a Zintl phase compound

(2015) A. Bhardwaj et al.   RSC Advances

Significantly enhanced thermoelectric figure of merit of p-type Mg3Sb2-based Zintl phase compounds via nanostructuring and employing high energy mechanical milling coupled with spark plasma sintering

(2015) A. Bhardwaj et al.   Journal of Materials Chemistry A

Benefits of Carrier-Pocket Anisotropy to Thermoelectric Performance: The Case ofp-TypeAgBiSe2

(2015) David S. Parker et al.   Physical Review Applied

Thermoelectric properties of Mg3Sb2−xBixsingle crystals grown by Bridgman method

(2015) Soo Hyun Kim et al.   Materials Research Express

High-Performance Pseudocubic Thermoelectric Materials from Non-cubic Chalcopyrite Compounds

(2014) Jiawei Zhang et al.   ADVANCED MATERIALS

Defect-Controlled Electronic Properties inAZn2Sb2Zintl Phases

(2014) Gregory S. Pomrehn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nonstoichiometry in the Zintl Phase Yb1−δZn2Sb2 as a Route to Thermoelectric Optimization

(2014) Alex Zevalkink et al.   CHEMISTRY OF MATERIALS

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

Enhancing thermoelectric properties of a p-type Mg3Sb2- based Zintl phase compound by Pb substitution in the anionic framework

(2014) A. Bhardwaj et al.   RSC Advances

Thermoelectric properties of Mn-doped Mg–Sb single crystals

(2014) Soohyun Kim et al.   Journal of Materials Chemistry A

Electronic and transport properties of zintl phase AeMg2Pn2, Ae = Ca,Sr,Ba, Pn = As,Sb,Bi in relation to Mg3Sb2

(2013) David J. Singh et al.   JOURNAL OF APPLIED PHYSICS

On the Thermoelectric Properties of Zintl Compounds Mg3Bi2−x Pn x (Pn = P and Sb)

(2013) V. Ponnambalam et al.   JOURNAL OF ELECTRONIC MATERIALS

Mg3Sb2-based Zintl compound: a non-toxic, inexpensive and abundant thermoelectric material for power generation

(2013) A. Bhardwaj et al.   RSC Advances

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Ab initio Calculations of Intrinsic Point Defects in ZnSb

(2012) Lasse Bjerg et al.   CHEMISTRY OF MATERIALS

Properties of single crystalline AZn2Sb2 (A = Ca,Eu,Yb)

(2012) Andrew F. May et al.   JOURNAL OF APPLIED PHYSICS

High-performance bulk thermoelectrics with all-scale hierarchical architectures

(2012) Kanishka Biswas et al.   NATURE

Copper ion liquid-like thermoelectrics

(2012) Huili Liu et al.   NATURE MATERIALS

Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2

(2012) Andrew F. May et al.   PHYSICAL REVIEW B

Convergence of Conduction Bands as a Means of Enhancing Thermoelectric Performance ofn-TypeMg2Si1−xSnxSolid Solutions

(2012) Wei Liu et al.   PHYSICAL REVIEW LETTERS

Enhanced Thermoelectric Figure of Merit of Zintl Phase YbCd2-xMnxSb2 by Chemical Substitution

(2011) Kai Guo et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Convergence of electronic bands for high performance bulk thermoelectrics

(2011) Yanzhong Pei et al.   NATURE

Formation enthalpies by mixing GGA and GGA+Ucalculations

(2011) Anubhav Jain et al.   PHYSICAL REVIEW B

Zintl phase Yb1−xCaxCd2Sb2 with tunable thermoelectric properties induced by cation substitution

(2010) Qi-Gao Cao et al.   JOURNAL OF APPLIED PHYSICS

Thermoelectric properties of YbxEu1−xCd2Sb2

(2010) H. Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Thermoelectric Properties of Polycrystalline SrZn2Sb2 Prepared by Spark Plasma Sintering

(2010) Hui Zhang et al.   JOURNAL OF ELECTRONIC MATERIALS

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lattice dynamics and elastic properties of Mg3As2 and Mg3Sb2 compounds from first-principles calculations

(2010) Jun-ichi Tani et al.   PHYSICA B-CONDENSED MATTER

Synthesis and high thermoelectric efficiency of Zintl phase YbCd2−xZnxSb2

(2009) Xiao-Jun Wang et al.   APPLIED PHYSICS LETTERS

Thermoelectric properties of Eu(Zn1−xCdx)2Sb2

(2009) Hui Zhang et al.   DALTON TRANSACTIONS

Electronic structure and transport in thermoelectric compounds AZn2Sb2 (A = Sr, Ca, Yb, Eu)

(2009) Eric S. Toberer et al.   DALTON TRANSACTIONS

Synthesis and properties of CaCd2Sb2 and EuCd2Sb2

(2009) Hui Zhang et al.   INTERMETALLICS

Transport and thermoelectric properties of nanocrystal substitutional semiconductor alloys (Mg1−xCdx)3Sb2 doped with Ag

(2009) K.X. Zhang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Improved thermoelectric performance in the Zintl phase compounds YbZn2−xMnxSb2 via isoelectronic substitution in the anionic framework

(2008) C. Yu et al.   JOURNAL OF APPLIED PHYSICS

A new type of thermoelectric material, EuZn2Sb2

(2008) Hui Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Roles of cations, electronegativity difference, and anionic interlayer interactions in the metallic versus nonmetallic character of Zintl phases related to arsenic

(2008) Pere Alemany et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structure and high-temperature thermoelectric properties of SrAl2Si2

(2008) Susan M. Kauzlarich et al.   JOURNAL OF SOLID STATE CHEMISTRY

Avoided crossing of rattler modes in thermoelectric materials

(2008) Mogens Christensen et al.   NATURE MATERIALS

Complex thermoelectric materials

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