Heteroatoms (Si, B, N, and P) doped 2D monolayer MoS 2 for NH 3 gas detection

TE Gber, H Louis, AE Owen, BE Etinwa, I Benjamin… - RSC …, 2022 - pubs.rsc.org
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 …

Rare earth based Mg-chalcogenides MgDy2 (S/Se) 4 as an emerging aspirant for spintronic and thermoelectric applications

G Nazir, AS Alofi, A Rehman, Q Mahmood… - Materials Science in …, 2024 - Elsevier
The magnesium based spinel chalcogenides are outstanding materials for spintronic
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 …

First principle investigation of half metallic ferromagnetism and thermoelectric behavior of MgSm2 (S/Se) 4 spinels for spintronic and energy harvesting applications

GM Mustafa, HD Alkhaldi, S Saba, A Almeshal… - Chinese Journal of …, 2024 - Elsevier
Density functional theory investigates the spin-dependent structural, electronic, magnetic,
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 …

FC Asogwa, H Louis, TE Gber, BK Isamura… - Journal of …, 2024 - World Scientific
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 …

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 …

Study of spin control on half metallic ferromagnetism and thermoelectric properties of MgEu2 (S/Se) 4 for spintronic and energy harvesting devices

Q Mahmood, S Tahir, H Albalawi, T Zelai… - Journal of Physics and …, 2023 - Elsevier
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 …

Exploring the physical properties of novel ACu3S3 (A= Sc, Y) semiconductors via first-principles calculation

MS Khan, B Gul, G Khan, G Benabdellah… - Materials Science in …, 2024 - Elsevier
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 …

Rare earth based MgPm2X4 (X= S, Se) spinel chalcogenides for spintronic and thermoelectric applications

TM Al-Daraghmeh, O Zayed, GM Mustafa, T Zelai… - Journal of Rare …, 2024 - Elsevier
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 …

Effects of Fe occupancy on physical properties of non-magnetic GeGa2O4 spinel oxide

MA Rafiq, A Hussain, A Javed, G Naz, J Rehman… - Journal of Physics and …, 2023 - Elsevier
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 …