A novel p-type half-Heusler from high-throughput transport and defect calculations

Extrinsic doping of the half-Heusler compounds

(2016) Robin Stern et al.   NANOTECHNOLOGY

Designing high-performance layered thermoelectric materials through orbital engineering

(2016) Jiawei Zhang et al.   Nature Communications

Novel ternary sulfide thermoelectric materials from high throughput transport and defect calculations

(2016) Sandip Bhattacharya et al.   Journal of Materials Chemistry A

High thermoelectric performance of tellurium doped paracostibite

(2016) R. Chmielowski et al.   Journal of Materials Chemistry C

Band engineering of high performance p-type FeNbSb based half-Heusler thermoelectric materials for figure of merit zT > 1

(2015) Chenguang Fu et al.   Energy & Environmental Science

First-principles simulation of electron mean-free-path spectra and thermoelectric properties in silicon

(2015) Bo Qiu et al.   EPL

Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds

(2015) Romain Gautier et al.   Nature Chemistry

High-throughput exploration of alloying as design strategy for thermoelectrics

(2015) Sandip Bhattacharya et al.   PHYSICAL REVIEW B

Unraveling Self-Doping Effects in Thermoelectric TiNiSn Half-Heusler Compounds by Combined Theory and High-Throughput Experiments

(2015) Matthias Wambach et al.   Advanced Electronic Materials

Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study

(2014) Jesús Carrete et al.   ADVANCED FUNCTIONAL MATERIALS

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

(2014) Jiawei Zhang et al.   ADVANCED MATERIALS

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

(2014) Richard H. Taylor et al.   COMPUTATIONAL MATERIALS SCIENCE

NbFeSb-based p-type half-Heuslers for power generation applications

(2014) Giri Joshi et al.   Energy & Environmental Science

Phase stability and property evolution of biphasic Ti–Ni–Sn alloys for use in thermoelectric applications

(2014) Jason E. Douglas et al.   JOURNAL OF APPLIED PHYSICS

Enhanced thermoelectric performance in the p-type half-Heusler (Ti/Zr/Hf)CoSb0.8Sn0.2 system via phase separation

(2014) Elisabeth Rausch et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The thermal expansion coefficient as a key design parameter for thermoelectric materials and its relationship to processing-dependent bloating

(2013) Jennifer E. Ni et al.   JOURNAL OF MATERIALS SCIENCE

Sorting Stable versus Unstable Hypothetical Compounds: The Case of Multi-Functional ABX Half-Heusler Filled Tetrahedral Structures

(2012) Xiuwen Zhang et al.   ADVANCED FUNCTIONAL MATERIALS

Stronger phonon scattering by larger differences in atomic mass and size in p-type half-Heuslers Hf1−xTixCoSb0.8Sn0.2

(2012) Xiao Yan et al.   Energy & Environmental Science

Phase separation as a key to a thermoelectric high efficiency

(2012) Michael Schwall et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High figure of merit in (Ti,Zr,Hf)NiSn half-Heusler alloys

(2012) S. Populoh et al.   SCRIPTA MATERIALIA

Improvement of thermoelectric properties for half-Heusler TiNiSn by interstitial Ni defects

(2011) Hirofumi Hazama et al.   JOURNAL OF APPLIED PHYSICS

Enhanced Thermoelectric Figure of Merit of p-Type Half-Heuslers

(2011) Xiao Yan et al.   NANO LETTERS

Convergence of electronic bands for high performance bulk thermoelectrics

(2011) Yanzhong Pei et al.   NATURE

Simple rules for the understanding of Heusler compounds

(2011) Tanja Graf et al.   PROGRESS IN SOLID STATE CHEMISTRY

Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties

(2008) Jiong Yang et al.   ADVANCED FUNCTIONAL MATERIALS