State-of-the-art reviews and analyses of emerging research findings and achievements of thermoelectric materials over the past years
This review is focused on state-of-the-art thermoelectric materials (or thermoelements), from
which the thermoelements with the highest figures of merit (z) along with the those having …
which the thermoelements with the highest figures of merit (z) along with the those having …
[HTML][HTML] Scrutinized the inherent spin half-metallicity and thermoelectric response of f-electron-based RbMO3 (M = Np, Pu) perovskites: a computational …
In the hunt for novel materials, we present self-consistent ab initio simulations of the
structural stability, electronic profile, and transport properties of f-electron-based RbMO3 (M …
structural stability, electronic profile, and transport properties of f-electron-based RbMO3 (M …
First-principle calculations to investigate structural, electronic, optical, thermodynamic, and thermoelectric properties of ABO3 (A=Cs, Rb and B= Ta, Nb) compounds
S Berri, N Bouarissa - Emergent Materials, 2022 - Springer
In this study, the structural, optoelectronic, thermodynamic, and thermoelectric properties of
ABO 3 (A= Cs, Rb and B= Ta, Nb) perovskite alloy are predicted. The full potential-linearized …
ABO 3 (A= Cs, Rb and B= Ta, Nb) perovskite alloy are predicted. The full potential-linearized …
Consequences of Tuning Rare-Earth RE3+-Site and Exchange–Correlation Energy U on the Optoelectronic, Mechanical, and Thermoelectronic Properties of Cubic Manganite …
MM Saad H.-E, BO Alsobhi - ACS omega, 2022 - ACS Publications
Both rare-earth SmMnO3 and EuMnO3 compounds that belong to transition-metal-based
manganite perovskites REMnO3 have been studied deeply in this paper. The structural …
manganite perovskites REMnO3 have been studied deeply in this paper. The structural …
Thermoelectric properties of InN graphene-like nanosheet: A first principle study
In this work, the electronic and thermoelectric properties of the graphene-like monolayer of
InN were investigated by utilizing Wien2k and BoltzTrap codes considering PBE-GGA and …
InN were investigated by utilizing Wien2k and BoltzTrap codes considering PBE-GGA and …
[HTML][HTML] Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu 4 Z 12 (Z= As 12, Sb 12) filled …
P Nayak, P Srivastava, DC Gupta - RSC advances, 2023 - pubs.rsc.org
Using the density functional theory methodology, we have thoroughly examined KRu4As12
and KRu4Sb12 skutterudites, including their structural, electronic, mechanical, transport …
and KRu4Sb12 skutterudites, including their structural, electronic, mechanical, transport …
[HTML][HTML] Electronic, optical and thermoelectric properties of Fe 2 ZrP compound determined via first-principles calculations
In this study, based on the density functional theory and semi-classical Boltzmann transport
theory, we investigated the structural, thermoelectric, optical and phononic properties of the …
theory, we investigated the structural, thermoelectric, optical and phononic properties of the …
First-principles calculations to investigate structural, electronic, magnetic, optical, mechanical and thermoelectric properties of rare-earth aluminate perovskite XAlO3 …
BO Alsobhi - Materials Chemistry and Physics, 2023 - Elsevier
The spin-polarized full-potential linearized augmented plane wave (FP-LAPW) approach
based on density functional theory (DFT) is used to investigate the structural, electronic …
based on density functional theory (DFT) is used to investigate the structural, electronic …
Investigation into thermoelectric properties of M (M= Hf, Zr) X2 (X= S, Se, Te) nanotubes using first-principles calculation
HM Abdollah, Y Mohammad, Y Mojtaba… - Solid State …, 2021 - Elsevier
This study investigates the electronic and thermoelectric properties of (5, 0) single-wall M
(M= Hf, Zr) X 2 (X= S, Se, Te) nanotubes by using first-principles calculations and semi …
(M= Hf, Zr) X 2 (X= S, Se, Te) nanotubes by using first-principles calculations and semi …
Structural, electronic and thermoelectric properties of bulk and monolayer of Sb2Se3 under high pressure: by GGA and mBJ approaches
HAR Aliabad, FA Rad - Physica B: Condensed Matter, 2018 - Elsevier
The effects of high pressure on the structural, electronic and thermoelectric properties of Sb
2 Se 3 have been studied by using FP-LAPW method combined with Boltzmann transport …
2 Se 3 have been studied by using FP-LAPW method combined with Boltzmann transport …