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Band Degeneracy, Low Thermal Conductivity, and High Thermoelectric Figure of Merit in SnTe–CaTe Alloys

Chemistry of materials, 2016-01, Vol.28 (1), p.376-384

2016

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High-Performance Thermoelectric Bulk Colusite by Process Controlled Structural Disordering

Journal of the American Chemical Society, 2018-02, Vol.140 (6), p.2186-2195

2018

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Off-stoichiometry effect on thermoelectric properties of the new p-type sulfides compounds Cu2CoGeS4

Journal of alloys and compounds, 2020-06, Vol.826, p.154240, Article 154240

2020

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AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians

Computational materials science, 2017-08, Vol.136, p.76-84

2017

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High Power Factors of Thermoelectric Colusites Cu26T2Ge6S32 (T = Cr, Mo, W): Toward Functionalization of the Conductive “Cu–S” Network

Advanced energy materials, 2019-02, Vol.9 (6), p.n/a

2019

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Ultralow Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in SnTe:Ga Materials

Chemistry of materials, 2017-01, Vol.29 (2), p.612-620

2017

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Rare-Earth Sulfide Nanocrystals from Wet Colloidal Synthesis: Tunable Compositions, Size-Dependent Light Absorption, and Sensitized Rare-Earth Luminescence

Journal of the American Chemical Society, 2021-03, Vol.143 (9), p.3300-3305

2021

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Key Role of d(0) and d(10) Cations for the Design of Semiconducting Colusites: Large Thermoelectric ZT in Cu26Ti2Sb6S32 Compounds

Chemistry of materials, 2021-05, Vol.33 (9), p.3449-3456

2021

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High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation

Computational materials science, 2016-12, Vol.125 (C), p.82-91

2016

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A Tunable Structural Family with Ultralow Thermal Conductivity: Copper-Deficient Cu1-x□xPb1-xBi1+xS3

Journal of the American Chemical Society, 2022-02, Vol.144 (4), p.1846-1860

2022

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XBi4S7 (X = Mn, Fe): New Cost‐Efficient Layered n‐Type Thermoelectric Sulfides with Ultralow Thermal Conductivity

Advanced functional materials, 2019-11, Vol.29 (48), p.n/a

2019

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Improved electronic structure and magnetic exchange interactions in transition metal oxides

Journal of physics. Condensed matter, 2017-11, Vol.29 (44), p.444003-444003

2017

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Pseudobinary Approach to the Discovery and Design of Copper-Based Sulfides

Chemistry of materials, 2023-09, Vol.35 (18), p.7554-7563

2023

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Sb Doping of Metallic CuCr2S4 as a Route to Highly Improved Thermoelectric Properties

Chemistry of materials, 2017-04, Vol.29 (7), p.2988-2996

2017

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Long-Range Cationic Order Collapse Triggered by S/Cl Mixed-Anion Occupancy Yields Enhanced Thermoelectric Properties in Cu5Sn2S7

Chemistry of materials, 2021-12, Vol.33 (23), p.9425-9438

2021

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Local-Disorder-Induced Low Thermal Conductivity in Degenerate Semiconductor Cu22Sn10S32

Inorganic chemistry, 2021-11, Vol.60 (21), p.16273-16285

2021

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Electronic Band Structure Engineering and Enhanced Thermoelectric Transport Properties in Pb-Doped BiCuOS Oxysulfide

Chemistry of materials, 2018-02, Vol.30 (3), p.1085-1094

2018

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Transport properties and electronic density-of-states of Zn-doped colusite Cu26Cr2Ge6S32

Applied physics letters, 2020-10, Vol.117 (17)

2020

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Electronic Band Structure and Transport Properties of the Cluster Compound Ag3Tl2Mo15Se19

Inorganic chemistry, 2019-05, Vol.58 (9), p.5533-5542

2019

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X‑ray Characterization, Electronic Band Structure, and Thermoelectric Properties of the Cluster Compound Ag2Tl2Mo9Se11

Inorganic chemistry, 2014-11, Vol.53 (21), p.11699-11709

2014

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Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound Ag3In2Mo15Se19

Chemistry of materials, 2012-08, Vol.24 (15), p.2899-2908

2012

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Promising thermoelectric properties in AgxMo9Se11 compounds (3.4≤x≤3.9)

Applied physics letters, 2011-04, Vol.98 (16)

2011

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Enhancement of the Thermoelectric Properties of FeGa3‑type Structures with Group 6 Transition Metals: A Computational Exploration

Inorganic chemistry, 2017-04, Vol.56 (7), p.4229-4237

2017

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Prediction of high thermoelectric potential in AMN2 layered nitrides: electronic structure, phonons, and anharmonic effects

Journal of materials chemistry. A, Materials for energy and sustainability, , Vol.3 (18), p.9945-9954

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Copper‐Rich Thermoelectric Sulfides: Size‐Mismatch Effect and Chemical Disorder in the [TS4]Cu6 Complexes of Cu26T2Ge6S32 (T=Cr, Mo, W) Colusites

Angewandte Chemie (International ed.), 2019-10, Vol.58 (43), p.15455-15463

International ed. in English, 2019

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Band Degeneracy, Low Thermal Conductivity, and High Thermoelectric Figure of Merit in SnTe–CaTe Alloys

High-Performance Thermoelectric Bulk Colusite by Process Controlled Structural Disordering

Off-stoichiometry effect on thermoelectric properties of the new p-type sulfides compounds Cu2CoGeS4

AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians

High Power Factors of Thermoelectric Colusites Cu26T2Ge6S32 (T = Cr, Mo, W): Toward Functionalization of the Conductive “Cu–S” Network

Ultralow Lattice Thermal Conductivity and Enhanced Thermoelectric Performance in SnTe:Ga Materials

Rare-Earth Sulfide Nanocrystals from Wet Colloidal Synthesis: Tunable Compositions, Size-Dependent Light Absorption, and Sensitized Rare-Earth Luminescence

Key Role of d(0) and d(10) Cations for the Design of Semiconducting Colusites: Large Thermoelectric ZT in Cu26Ti2Sb6S32 Compounds

High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation

A Tunable Structural Family with Ultralow Thermal Conductivity: Copper-Deficient Cu1-x□xPb1-xBi1+xS3

XBi4S7 (X = Mn, Fe): New Cost‐Efficient Layered n‐Type Thermoelectric Sulfides with Ultralow Thermal Conductivity

Improved electronic structure and magnetic exchange interactions in transition metal oxides

Pseudobinary Approach to the Discovery and Design of Copper-Based Sulfides

Sb Doping of Metallic CuCr2S4 as a Route to Highly Improved Thermoelectric Properties

Long-Range Cationic Order Collapse Triggered by S/Cl Mixed-Anion Occupancy Yields Enhanced Thermoelectric Properties in Cu5Sn2S7

Local-Disorder-Induced Low Thermal Conductivity in Degenerate Semiconductor Cu22Sn10S32

Electronic Band Structure Engineering and Enhanced Thermoelectric Transport Properties in Pb-Doped BiCuOS Oxysulfide

Transport properties and electronic density-of-states of Zn-doped colusite Cu26Cr2Ge6S32

Electronic Band Structure and Transport Properties of the Cluster Compound Ag3Tl2Mo15Se19

X‑ray Characterization, Electronic Band Structure, and Thermoelectric Properties of the Cluster Compound Ag2Tl2Mo9Se11

Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound Ag3In2Mo15Se19

Promising thermoelectric properties in AgxMo9Se11 compounds (3.4≤x≤3.9)

Enhancement of the Thermoelectric Properties of FeGa3‑type Structures with Group 6 Transition Metals: A Computational Exploration

Prediction of high thermoelectric potential in AMN2 layered nitrides: electronic structure, phonons, and anharmonic effects

Copper‐Rich Thermoelectric Sulfides: Size‐Mismatch Effect and Chemical Disorder in the [TS4]Cu6 Complexes of Cu26T2Ge6S32 (T=Cr, Mo, W) Colusites

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