Complex Band Structures and Lattice Dynamics of Bi2Te3‐Based Compounds and Solid Solutions

T Fang, X Li, C Hu, Q Zhang, J Yang… - Advanced Functional …, 2019‏ - Wiley Online Library
Bi2Te3‐based compounds and derivatives are milestone materials in the fields of
thermoelectrics (TEs) and topological insulators (TIs). They have highly complex band …

[HTML][HTML] Promising transparent and flexible thermoelectric modules based on p-type CuI thin films—A review

AS Lemine, J Bhadra, NJ Al-Thani, Z Ahmad - Energy Reports, 2022‏ - Elsevier
The state-of-the-art thermoelectric technology owns a unique capability of direct, noise-free,
and efficient conversion of waste heat into valuable electricity. The conventional …

Monolayer PdSe2: A promising two-dimensional thermoelectric material

D Qin, P Yan, G Ding, X Ge, H Song, G Gao - Scientific reports, 2018‏ - nature.com
Motivated by the recent experimental synthesis of two-dimensional semiconducting film
PdSe2, we investigate the electronic and thermal transport properties of PdSe2 monolayer …

Electronic, transport, and optical properties of bulk and mono-layer PdSe2

J Sun, H Shi, T Siegrist, DJ Singh - Applied Physics Letters, 2015‏ - pubs.aip.org
The electronic and optical properties of bulk and monolayer PdSe 2 are investigated using
first-principles calculations. Using the modified Becke-Johnson potential, we find …

High thermoelectric performance in Te-free (Bi, Sb) 2 Se 3 via structural transition induced band convergence and chemical bond softening

S Wang, Y Sun, J Yang, B Duan, L Wu… - Energy & …, 2016‏ - pubs.rsc.org
Semiconductors with converging multiple electronic valleys and soft chemical bonds are
ideal for high-performance thermoelectrics. Narrow gap Bi2Se3 is a well-known three …

Connecting Thermoelectric Performance and Topological-Insulator Behavior: and from First Principles

H Shi, D Parker, MH Du, DJ Singh - Physical Review Applied, 2015‏ - APS
Thermoelectric performance is of interest for numerous applications such as waste-heat
recovery and solid-state energy conversion and will be seen to be closely connected to …

Revealing optoelectronic and transport properties of potential perovskites Cs2PdX6 (X= Cl, Br): a probe from density functional theory (DFT)

KC Bhamu, A Soni, J Sahariya - Solar Energy, 2018‏ - Elsevier
Metal-halide perovskites are rapidly emerging crystalline materials that are reasonably
preferred as leading aspirant for applications in optoelectronic and thermoelectric devices …

Elemental tellurium as a chiral -type thermoelectric material

H Peng, N Kioussis, GJ Snyder - Physical Review B, 2014‏ - APS
The thermoelectric transport properties of elemental tellurium are investigated by density
functional theory combined with the Boltzmann transport equation in the rigid band …

KAgX (X= S, Se): high-performance layered thermoelectric materials for medium-temperature applications

XL Zhu, H Yang, WX Zhou, B Wang… - ACS applied materials …, 2020‏ - ACS Publications
Monolayer KAgX are a class of novel two-dimensional (2D) layered materials with efficient
optical absorption and superior carrier mobility, signifying their potential application prospect …

Assessing the Thermoelectric Properties of Sintered Compounds <?format ?>via High-Throughput Ab-Initio Calculations

S Wang, Z Wang, W Setyawan, N Mingo, S Curtarolo - Physical Review X, 2011‏ - APS
Several thousand compounds from the Inorganic Crystal Structure Database have been
considered as nanograined, sintered-powder thermoelectrics with the high-throughput ab …