标题
Achieving band convergence by tuning the bonding ionicity in n‐type Mg
3
Sb
2
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume -, Issue -, Pages -
出版商
Wiley
发表日期
2019-03-20
DOI
10.1002/jcc.25822
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- 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
- 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
- Observation of valence band crossing: the thermoelectric properties of CaZn2Sb2–CaMg2Sb2 solid solution
- (2018) Max Wood et al. Journal of Materials Chemistry A
- Discovery of High-Performance Thermoelectric Chalcogenides through Reliable High-Throughput Material Screening
- (2018) Lili Xi et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- 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
- The “electron crystal” behavior in copper chalcogenides Cu2X (X = Se, S)
- (2017) Yongxing Sun 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
- 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
- Isotropic Conduction Network and Defect Chemistry in Mg3+δSb2-Based Layered Zintl Compounds with High Thermoelectric Performance
- (2016) Hiromasa Tamaki et al. ADVANCED MATERIALS
- LOBSTER: A tool to extract chemical bonding from plane-wave based DFT
- (2016) Stefan Maintz et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective
- (2016) Jiong Yang et al. npj Computational Materials
- Thermoelectric properties of Na-doped Zintl compound: Mg 3− x Na x Sb 2
- (2015) Jing Shuai et al. ACTA MATERIALIA
- Unfolding spinor wave functions and expectation values of general operators: Introducing the unfolding-density operator
- (2015) Paulo V. C. Medeiros et al. PHYSICAL REVIEW B
- Strongly Constrained and Appropriately Normed Semilocal Density Functional
- (2015) Jianwei Sun et al. PHYSICAL REVIEW LETTERS
- Benefits of Carrier-Pocket Anisotropy to Thermoelectric Performance: The Case ofp-TypeAgBiSe2
- (2015) David S. Parker et al. Physical Review Applied
- Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding
- (2014) Paulo V. C. Medeiros et al. PHYSICAL REVIEW B
- Thermoelectric properties of Mn-doped Mg–Sb single crystals
- (2014) Soohyun Kim et al. Journal of Materials Chemistry A
- Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids
- (2013) Stefan Maintz et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- On the Thermoelectric Properties of Zintl Compounds Mg3Bi2−x Pn x (Pn = P and Sb)
- (2013) V. Ponnambalam et al. JOURNAL OF ELECTRONIC MATERIALS
- Temperature-dependent effective third-order interatomic force constants from first principles
- (2013) Olle Hellman et al. PHYSICAL REVIEW B
- Chemical bonding, conductive network, and thermoelectric performance of the ternary semiconductors Cu2SnX3(X=Se, S) from first principles
- (2012) L. Xi 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
- Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
- (2011) Volker L. Deringer et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Convergence of electronic bands for high performance bulk thermoelectrics
- (2011) Yanzhong Pei et al. NATURE
- Lattice dynamics of anharmonic solids from first principles
- (2011) O. Hellman et al. PHYSICAL REVIEW B
- Recent advances in thermoelectric nanocomposites
- (2011) Weishu Liu et al. Nano Energy
- Zintl Chemistry for Designing High Efficiency Thermoelectric Materials†‡
- (2009) Eric S. Toberer et al. CHEMISTRY OF MATERIALS
- Electrical Transport Properties of Filled CoSb3 Skutterudites: A Theoretical Study
- (2009) Jiong Yang et al. JOURNAL OF ELECTRONIC MATERIALS
- 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
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