Crystal structure classification of copper‐based sulfides as a tool for the design of inorganic functional materials

P Lemoine, G Guelou, B Raveau… - Angewandte …, 2022 - Wiley Online Library
Research focusing on the interplay between structural features and transport properties of
inorganic materials is of paramount importance for the identification, comprehension, and …

Effects of Grain Size on the Thermoelectric Properties of Cu2SnS3: An Experimental and First-Principles Study

K Lohani, H Nautiyal, N Ataollahi, K Maji… - ACS Applied Energy …, 2021 - ACS Publications
Cu–Sn-based sulfides are earth-abundant and nontoxic compounds of special interest for
low-cost energy harvesting applications. In the present work, we have investigated the effect …

A Tunable Structural Family with Ultralow Thermal Conductivity: Copper-Deficient Cu1–xxPb1–xBi1+xS3

K Maji, P Lemoine, A Renaud, B Zhang… - Journal of the …, 2022 - ACS Publications
Understanding the mechanism that connects heat transport with crystal structures and
order/disorder phenomena is crucial to develop materials with ultralow thermal conductivity …

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

VP Kumar, P Lemoine, V Carnevali, G Guelou… - Inorganic …, 2021 - ACS Publications
S-based semiconductors are attracting attention as environmentally friendly materials for
energy-conversion applications because of their structural complexity and chemical …

Advanced modeling of materials with PAOFLOW 2.0: New features and software design

FT Cerasoli, AR Supka, A Jayaraj, M Costa… - Computational Materials …, 2021 - Elsevier
Recent research in materials science opens exciting perspectives to design novel quantum
materials and devices, but it calls for quantitative predictions of properties which are not …

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

G Guelou, V Pavan Kumar, V Carnevali… - Chemistry of …, 2021 - ACS Publications
To investigate pathways to adjust the charge carrier concentration and optimize the
thermoelectric properties, we characterized structural properties, thermal stability, and …

Interaction of acoustic and optical phonons in a soft-bonded Cu-Se framework of large unit cell minerals with anionic disorders

KS Rana, R Gupta, D Sarkar, NK Singh, S Acharya… - Physical Review B, 2023 - APS
In general, optical and acoustic phonons have different energy scaling and are separated by
an energy gap. However, the two phonon branches can also interact and provide an …

Phase Composition Manipulation and Twin Boundary Engineering Lead to Enhanced Thermoelectric Performance of Cu2SnS3

Y Wei, Z Zhou, P Jiang, S Zheng, Q Xiong… - ACS Applied Energy …, 2021 - ACS Publications
Cu2SnS3 (CTS), a typical ternary copper-based sulfide, is considered as a potential p-type
thermoelectric (TE) material with the advantages of environmental friendliness and low cost …

Crystal Structure and Thermoelectric Properties of Novel Quaternary Cu2MHf3S8 (M─Mn, Fe, Co, and Ni) Thiospinels with Low Thermal Conductivity

O Cherniushok, OV Smitiukh, J Tobola… - Chemistry of …, 2022 - ACS Publications
Uncovering of the origin of intrinsically low thermal conductivity in novel crystalline solids is
among the main streams in modern thermoelectricity. Because of their earth-abundant …

Enhanced thermoelectric performance in polymorphic heavily Co-doped Cu2SnS3 through carrier compensation by Sb substitution

Y Zhao, Y Gu, P Zhang, X Hu, Y Wang… - … and Technology of …, 2021 - Taylor & Francis
ABSTRACT Heavily acceptor-doped Cu2SnS3 (CTS) shows promisingly large power factor
(PF) due to its rather high electrical conductivity (σ) which causes a modest ZT with a high …