Remarkable thermoelectric performance in BaPdS2 via pudding-mold band structure, band convergence, and ultralow lattice thermal conductivity

Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics

(2018) Eric B. Isaacs et al.   CHEMISTRY OF MATERIALS

3D charge and 2D phonon transports leading to high out-of-planeZTin n-type SnSe crystals

(2018) Cheng Chang et al.   SCIENCE

Defects controlled hole doping and multivalley transport in SnSe single crystals

(2018) Zhen Wang et al.   Nature Communications

A practical field guide to thermoelectrics: Fundamentals, synthesis, and characterization

(2018) Alex Zevalkink et al.   Applied Physics Reviews

Bonding Hierarchy Gives Rise to High Thermoelectric Performance in Layered Zintl Compound BaAu2P4

(2018) Koushik Pal et al.   CHEMISTRY OF MATERIALS

Enhanced power factor and reduced Lorenz number in the Wiedemann–Franz law due to pudding mold type band structures

(2017) Hidetomo Usui et al.   JOURNAL OF APPLIED PHYSICS

The atomic simulation environment—a Python library for working with atoms

(2017) Ask Hjorth Larsen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Thinking Like a Chemist: Intuition in Thermoelectric Materials

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

Rationally Designing High-Performance Bulk Thermoelectric Materials

(2016) Gangjian Tan et al.   CHEMICAL REVIEWS

High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2

(2016) Leo K. Lamontagne et al.   CHEMISTRY OF MATERIALS

Computational Prediction of High Thermoelectric Performance in Hole Doped Layered GeSe

(2016) Shiqiang Hao et al.   CHEMISTRY OF MATERIALS

Achieving ZT=2.2 with Bi-doped n-type SnSe single crystals

(2016) Anh Tuan Duong et al.   Nature Communications

Electronic, transport, and optical properties of bulk and mono-layer PdSe2

(2015) Jifeng Sun et al.   APPLIED PHYSICS LETTERS

Thermoelectric properties of single-layered SnSe sheet

(2015) Fancy Qian Wang et al.   Nanoscale

Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites

(2015) Yinglu Tang et al.   NATURE MATERIALS

Electronic structure and thermoelectric properties ofn- andp-type SnSe from first-principles calculations

(2015) K. Kutorasinski et al.   PHYSICAL REVIEW B

First-principles study of codoping in lanthanum bromide

(2015) Paul Erhart et al.   PHYSICAL REVIEW B

Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States

(2015) Daniel I. Bilc et al.   PHYSICAL REVIEW LETTERS

Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe

(2015) L.-D. Zhao et al.   SCIENCE

WS2 As an Excellent High-Temperature Thermoelectric Material

(2014) Appala Naidu Gandi et al.   CHEMISTRY OF MATERIALS

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

(2014) Li-Dong Zhao et al.   NATURE

Growth of Pd4S, PdS and PdS2 films by controlled sulfurization of sputtered Pd on native oxide of Si

(2013) R. Bhatt et al.   THIN SOLID FILMS

Band Engineering of Thermoelectric Materials

(2012) Yanzhong Pei et al.   ADVANCED MATERIALS

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

(2012) Wei Liu et al.   PHYSICAL REVIEW LETTERS

Oxide thermoelectrics: The challenges, progress, and outlook

(2011) Jian He et al.   JOURNAL OF MATERIALS RESEARCH

Convergence of electronic bands for high performance bulk thermoelectrics

(2011) Yanzhong Pei et al.   NATURE

High-throughput electronic band structure calculations: Challenges and tools

(2010) Wahyu Setyawan et al.   COMPUTATIONAL MATERIALS SCIENCE

Complex thermoelectric materials

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

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B