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Heteroatoms (Si, B, N, and P) doped 2D monolayer MoS 2 for NH 3 gas detection
2D transition metal dichalcogenide MoS2 monolayer quantum dots (MoS2-QD) and their
doped boron (B@ MoS2-QD), nitrogen (N@ MoS2-QD), phosphorus (P@ MoS2-QD), and …
doped boron (B@ MoS2-QD), nitrogen (N@ MoS2-QD), phosphorus (P@ MoS2-QD), and …
Rare earth based Mg-chalcogenides MgDy2 (S/Se) 4 as an emerging aspirant for spintronic and thermoelectric applications
The magnesium based spinel chalcogenides are outstanding materials for spintronic
technology and energy applications. Herein, the modified Becke Johnson potential (TB …
technology and energy applications. Herein, the modified Becke Johnson potential (TB …
Electronic, magnetic and transport properties of anti-ferromagnetic semiconductor BaGd2X4 (XS, Se)
XP Wei, LL Du, J Shen, ZQ Sun, ZM Zhang… - Materials Science in …, 2024 - Elsevier
Thermoelectric materials, which are a functional ones that directly convert heat energy into
electrical energy without any pollution, have attend widespread concentration. In the current …
electrical energy without any pollution, have attend widespread concentration. In the current …
First principle investigation of half metallic ferromagnetism and thermoelectric behavior of MgSm2 (S/Se) 4 spinels for spintronic and energy harvesting applications
Density functional theory investigates the spin-dependent structural, electronic, magnetic,
and thermoelectric properties of MgSm2× 4 (X= S, Se). The optimization uses PBEsol-GGA …
and thermoelectric properties of MgSm2× 4 (X= S, Se). The optimization uses PBEsol-GGA …
Electronic Structure Property and Disposal Efficiency of 2,2-Dichloropropionic Acid Using Metalloid (B, Si and Ge)-Decorated Gallium Nano-clusters (Ga12X12 (X …
Theoretical evaluation of gallium nano-clusters decorated with certain metalloids (B, Si and
Ge)(Ga 1 2 X 1 2, where X= N, O) as proficient adsorbents for 2, 4-dichloropropionic acid …
Ge)(Ga 1 2 X 1 2, where X= N, O) as proficient adsorbents for 2, 4-dichloropropionic acid …
Half metallic ferromagnetic and transport behavior of rare earth based CdGd2 (S/Se) 4 spinels
GM Mustafa, B Younas, S Saba, NA Noor… - Materials Today …, 2024 - Elsevier
Spinel chalcogen compounds have garnered significant interest in recent ages because of
their promising potential in optoelectronic and thermoelectric device applications. Here, we …
their promising potential in optoelectronic and thermoelectric device applications. Here, we …
Study of spin control on half metallic ferromagnetism and thermoelectric properties of MgEu2 (S/Se) 4 for spintronic and energy harvesting devices
Spintronic is the emerging technology for next generation electronic devices that can
improve memory and computing capability by use of electrons spin degree of freedom. The …
improve memory and computing capability by use of electrons spin degree of freedom. The …
Exploring the physical properties of novel ACu3S3 (A= Sc, Y) semiconductors via first-principles calculation
Some of the distinguishing features of direct band gap ternary-type semiconductors include
their adjustable optoelectronic properties and high thermal stability. The state-of-the-art …
their adjustable optoelectronic properties and high thermal stability. The state-of-the-art …
Rare earth based MgPm2X4 (X= S, Se) spinel chalcogenides for spintronic and thermoelectric applications
In current report, the structural, magnetic, and thermoelectric properties of RE doped MgPm
2 X 4 (X= S, Se) spinels were investigated. The energy difference in ferromagnetic and …
2 X 4 (X= S, Se) spinels were investigated. The energy difference in ferromagnetic and …
Effects of Fe occupancy on physical properties of non-magnetic GeGa2O4 spinel oxide
This study investigated the structural, elastic, electronic, thermal, magnetic, and optical
behavior of GeGa 2 O 4, FeGa 2 O 4, GeFe 2 O 4, and FeFe 2 O 4 spinel oxides based on ab …
behavior of GeGa 2 O 4, FeGa 2 O 4, GeFe 2 O 4, and FeFe 2 O 4 spinel oxides based on ab …