The role of copper in the thermal conductivity of thermoelectric oxychalcogenides: do lone pairs matter?

From Bonding Asymmetry to Anharmonic Rattling in Cu12Sb4S13Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely

(2015) Wei Lai et al.   ADVANCED FUNCTIONAL MATERIALS

Lattice vibration modes of the layered material BiCuSeO and first principles study of its thermoelectric properties

(2015) Jingxuan Ding et al.   NEW JOURNAL OF PHYSICS

Exploring the origin of ultralow thermal conductivity in layered BiOCuSe

(2015) S. K. Saha   PHYSICAL REVIEW B

Effects of the Cu off-stoichiometry on transport properties of wide gap p-type semiconductor, layered oxysulfide LaCuSO

(2014) Yosuke Goto et al.   APPLIED PHYSICS LETTERS

Part-crystalline part-liquid state and rattling-like thermal damping in materials with chemical-bond hierarchy

(2014) Wujie Qiu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Are Binary Copper Sulfides/Selenides Really New and Promising Thermoelectric Materials?

(2014) Gilles Dennler et al.   Advanced Energy Materials

Influence of Pb doping on the electrical transport properties of BiCuSeO

(2013) Lin Pan et al.   APPLIED PHYSICS LETTERS

Pseudopotentials for high-throughput DFT calculations

(2013) Kevin F. Garrity et al.   COMPUTATIONAL MATERIALS SCIENCE

Texturation boosts the thermoelectric performance of BiCuSeO oxyselenides

(2013) Jiehe Sui et al.   Energy & Environmental Science

High thermoelectric performance of oxyselenides: intrinsically low thermal conductivity of Ca-doped BiCuSeO

(2013) Yan-Ling Pei et al.   NPG Asia Materials

Enhanced thermoelectric performance of Ca-doped BiCuSeO in a wide temperature range

(2013) Fu Li et al.   Journal of Materials Chemistry A

Synthesis, structural characterisation and thermoelectric properties of Bi1−xPbxOCuSe

(2013) Son D. N. Luu et al.   Journal of Materials Chemistry A

Structural and Electronic Transport Properties in Sr-Doped BiCuSeO

(2012) Céline Barreteau et al.   CHEMISTRY OF MATERIALS

Lone pair electrons minimize lattice thermal conductivity

(2012) Michele D. Nielsen et al.   Energy & Environmental Science

Copper ion liquid-like thermoelectrics

(2012) Huili Liu et al.   NATURE MATERIALS

Role of lone pair electrons in determining the optoelectronic properties of BiCuOSe

(2012) S. Sallis et al.   PHYSICAL REVIEW B

A copper-containing oxytelluride as a promising thermoelectric material for waste heat recovery

(2012) Paz Vaqueiro et al.   Journal of Materials Chemistry A

High-temperature order/disorder transition in the thermoelectric Cu3SbSe3

(2011) Melanie Kirkham et al.   JOURNAL OF MATERIALS RESEARCH

Bi1−xSrxCuSeO oxyselenides as promising thermoelectric materials

(2010) L. D. Zhao et al.   APPLIED PHYSICS LETTERS

Effects of filling inCoSb3: Local structure, band gap, and phonons from first principles

(2010) Daehyun Wee et al.   PHYSICAL REVIEW B

Crystal Structures, Optoelectronic Properties, and Electronic Structures of Layered OxychalcogenidesMCuOCh(M= Bi, La;Ch= S, Se, Te): Effects of Electronic Configurations ofM3+Ions

(2007) Hidenori Hiramatsu et al.   CHEMISTRY OF MATERIALS