Fermi surface complexity, effective mass, and conduction band alignment in n-type thermoelectric Mg3Sb2 – xBix from first principles calculations

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

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

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

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

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

(2018) Kazuki Imasato et al.   Materials Horizons

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

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

Theory of thermoelectricity in Mg3Sb2 with an energy- and temperature-dependent relaxation time

(2018) Roberta Farris et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

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

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

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

Designing high-performance layered thermoelectric materials through orbital engineering

(2016) Jiawei Zhang et al.   Nature Communications

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

(2015) Jing Shuai et al.   ACTA MATERIALIA

Theoretical and experimental investigations of the thermoelectric properties of Bi2S3

(2015) Radoslaw Chmielowski et al.   JOURNAL OF APPLIED PHYSICS

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

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

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

(2014) Jiawei Zhang et al.   ADVANCED MATERIALS

Theory of band warping and its effects on thermoelectronic transport properties

(2014) Nicholas A. Mecholsky et al.   PHYSICAL REVIEW B

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

High Three-Dimensional Thermoelectric Performance from Low-Dimensional Bands

(2013) David Parker et al.   PHYSICAL REVIEW LETTERS

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

(2013) A. Bhardwaj et al.   RSC Advances

Ab initio Calculations of Intrinsic Point Defects in ZnSb

(2012) Lasse Bjerg et al.   CHEMISTRY OF MATERIALS

Convergence of electronic bands for high performance bulk thermoelectrics

(2011) Yanzhong Pei et al.   NATURE

Thermoelectric properties of nanocrystalline (Mg1−xZnx)3Sb2isostructural solid solutions fabricated by mechanical alloying

(2009) H X Xin et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

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

(2008) Lon E. Bell   SCIENCE