Thermoelectric properties of half-Heusler alloys
R Chen, H Kang, R Min, Z Chen… - International …, 2024 - journals.sagepub.com
Half-Heusler alloys (HHs) as medium-and high-temperature thermoelectric materials have
attracted increasing considerable attention, owing to their excellent mechanical properties …
attracted increasing considerable attention, owing to their excellent mechanical properties …
Improving thermoelectric performance of asymmetrical Janus 1T-SnSSe monolayer by the synergistic effect of band convergence and crystal lattice softening under …
Recently, the 1T-SnSSe monolayer has attracted increasing attention in the thermoelectric
community on account of its low-cost and environmental friendliness. In this paper, the …
community on account of its low-cost and environmental friendliness. In this paper, the …
Bandgap tuning and thermoelectric characteristics of Sc-based double halide perovskites K2ScAgZ6 (Z= Cl, Br, I) for solar cells applications
Using the full-potential linearized augmented plane wave plus local orbitals method within
the frame work of density functional theory, the Sc-based double halide perovskites K 2 …
the frame work of density functional theory, the Sc-based double halide perovskites K 2 …
First-principles study of optoelectronic and thermoelectric properties of LiCaX (X= N, P and As) half-Heusler semiconductors
A Azouaoui, A Hourmatallah, N Benzakour… - Journal of Solid State …, 2022 - Elsevier
In this paper, we have investigated the LiCaX (X= N, P and As) half-Heusler
semiconductor by using density functional theory (DFT) implemented in QUANTUM …
semiconductor by using density functional theory (DFT) implemented in QUANTUM …
Origin of pseudo gap and thermoelectric signatures of semimetallic Ru2TaGa: structural stability from phonon dynamics, mechanical, and thermodynamic predictions
We have studied the origin of the semimetallic pseudo gap and the role of site preference in
the L 2 1-type Heusler compound Ru 2 TaGa. A detailed account of the structural stability …
the L 2 1-type Heusler compound Ru 2 TaGa. A detailed account of the structural stability …
Tensile strain as an efficient way to tune transport properties of Graphdiyne/Borophene hetero-bilayers; a first principle investigation
S Jalili, A Pakzadiyan - Computational Materials Science, 2023 - Elsevier
Thermoelectric materials have attracted much attention due to their crucial role in heat
conversion and cooling applications. Transport properties effectively conduct …
conversion and cooling applications. Transport properties effectively conduct …
Achieving High Thermoelectric Properties of Cu2Se via Lattice Softening and Phonon Scattering Mechanism
L Bo, R Zhang, H Zhao, Y Hou, X Wang… - ACS Applied Energy …, 2022 - ACS Publications
Co-alloying solid solution was regarded as a convenient approach to optimize the
thermoelectric properties. In this study, the densified Cu2–x (MnFeNi) x Se1–y Te y (x= 0 …
thermoelectric properties. In this study, the densified Cu2–x (MnFeNi) x Se1–y Te y (x= 0 …
Exploring structural, mechanical, and thermoelectric properties of half-Heusler compounds RhBiX (X= Ti, Zr, Hf): A first-principles investigation
J Wei, Y Guo, G Wang - RSC advances, 2023 - pubs.rsc.org
In this study, the full potential linearization enhanced plane wave method in density
functional theory is used. Additionally, the structure, mechanical, and thermoelectric …
functional theory is used. Additionally, the structure, mechanical, and thermoelectric …
Theoretical insight into the stability, magneto-electronic and thermoelectric properties of V2MnAs Heusler alloy
Recognized for its precision in investigating physical properties, we employed the full-
potential linearized augmented plane wave (FP-LAPW) method in this study to scrutinize the …
potential linearized augmented plane wave (FP-LAPW) method in this study to scrutinize the …
Search for semiconducting materials among 18-electron half-Heusler alloys
K Bilińska, MJ Winiarski - Solid State Communications, 2023 - Elsevier
A high throughput search for semiconductors among 153 half-Heusler phases with 18
valence electrons was performed. The alloys considered were as follows: III–X–XV, IV–X …
valence electrons was performed. The alloys considered were as follows: III–X–XV, IV–X …