Revisiting the nature of chemical bonding in chalcogenides to explain and design their properties

M Wuttig, CF Schön, J Lötfering, P Golub… - Advanced …, 2023 - Wiley Online Library
Quantum chemical bonding descriptors have recently been utilized to design materials with
tailored properties. Their usage to facilitate a quantitative description of bonding in …

Insights into low thermal conductivity in inorganic materials for thermoelectrics

T Ghosh, M Dutta, D Sarkar… - Journal of the American …, 2022 - ACS Publications
Efficient manipulation of thermal conductivity and fundamental understanding of the
microscopic mechanisms of phonon scattering in crystalline solids are crucial to achieve …

Do** by design: enhanced thermoelectric performance of GeSe alloys through metavalent bonding

Y Yu, C Zhou, T Ghosh, CF Schön, Y Zhou… - Advanced …, 2023 - Wiley Online Library
Do** is usually the first step to tailor thermoelectrics. It enables precise control of the
charge‐carrier concentration and concomitant transport properties. Do** should also turn …

Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI4

A Das, K Pal, P Acharyya, S Das, K Maji… - Journal of the …, 2023 - ACS Publications
Chemical bonding present in crystalline solids has a significant impact on how heat moves
through a lattice, and with the right chemical tuning, one can achieve extremely low thermal …

Rare three-valence-band convergence leading to ultrahigh thermoelectric performance in all-scale hierarchical cubic SnTe

F Li, X Liu, SR Li, XF Zhang, N Ma, XJ Li… - Energy & …, 2024 - pubs.rsc.org
Band convergence is an important approach for improving the thermoelectric performance,
as it can significantly increase the Seebeck coefficient without obviously sacrificing the …

Hidden structures: a driving factor to achieve low thermal conductivity and high thermoelectric performance

D Sarkar, A Bhui, I Maria, M Dutta… - Chemical Society Reviews, 2024 - pubs.rsc.org
The long-range periodic atomic arrangement or the lack thereof in solids typically dictates
the magnitude and temperature dependence of their lattice thermal conductivity (κlat) …

Metavalent Bonding-Mediated Dual 6s2 Lone Pair Expression Leads to Intrinsic Lattice Shearing in n-Type TlBiSe2

I Maria, R Arora, M Dutta… - Journal of the …, 2023 - ACS Publications
Metavalent bonding has attracted immense interest owing to its capacity to impart a distinct
property portfolio to materials for advanced functionality. Coupling metavalent bonding to …

[HTML][HTML] Entropy engineering: An innovative strategy for designing high-performance thermoelectric materials and devices

R Moshwan, XL Shi, WD Liu, J Liu, ZG Chen - Nano Today, 2024 - Elsevier
Entropy engineering in thermoelectric materials involves a deliberate manipulation of
entropy-related effects to boost performance. It revolves around designing materials to …

High Thermoelectric Performance in Rhombohedral GeSe-LiBiTe2

J Dong, Y Liu, Z Li, H **e, Y Jiang… - Journal of the …, 2024 - ACS Publications
GeSe, an analogue of SnSe, shows promise in exhibiting exceptional thermoelectric
performance in the Pnma phase. The constraints on its dopability, however, pose challenges …

Retarding Ostwald ripening through Gibbs adsorption and interfacial complexions leads to high-performance SnTe thermoelectrics

D An, J Wang, J Zhang, X Zhai, Z Kang… - Energy & …, 2021 - pubs.rsc.org
Nanoprecipitation is a routine method to decrease the thermal conductivity for advancing
thermoelectric performance. However, the coarsening/Ostwald ripening of precipitates under …