Search Results - "Probert MA"

Eco-friendly synthesis and antibacterial evaluation of CuO, ZnO, and CuO–ZnO nanostructures supported by DFT and molecular docking.

Authors: Mohammed, Trifa Khalaf Rasul, Hezha O. Hasan, Aso Hameed

Source: Discover Nano; 5/18/2026, Vol. 21 Issue 1, p1-43, 43p

Unlocking Cs2GeTmI6 double perovskite through DFT-simulation: how strain shapes its electronic and optical marvels.

Authors: Ali, Shabir Wang, Xinhua Zaman, Shams U. et al.

Source: Journal of Materials Science; Jul2025, Vol. 60 Issue 28, p12072-12089, 18p

First-Principles Calculation of Electronic Structure and Optical Properties of F-Doped Diamond.

Authors: Yin, Jianbo Zhang, Wenjing

Source: Journal of Electronic Materials; Jul2025, Vol. 54 Issue 7, p5610-5618, 9p

First-Principles Analysis of Photoelectric and Magnetic Tunability in Transition Metal-Doped Janus MSeX Monolayers (M = Mo, W; X = S, Te)

Authors: Liu, Huaidong Yang, Lu Sun, Shihang et al.

Source: Journal of Superconductivity & Novel Magnetism; Feb2025, Vol. 38 Issue 1, p1-28, 28p

Unlocking Cs2GeTmI6 double perovskite through DFT-simulation: how strain shapes its electronic and optical marvels.

Authors: Ali, Shabir Wang, Xinhua Zaman, Shams U. et al.

Source: Journal of Materials Science. Jul2025, Vol. 60 Issue 28, p12072-12089. 18p.

Effect of tensile strain on the optoelectronic properties of defective Te systems MoTe2.

Authors: Shi, Zhihong Wang, Ying Yang, Nan et al.

Source: European Physical Journal B: Condensed Matter. May2025, Vol. 98 Issue 5, p1-11. 11p.

Selective Adsorption Mechanism of Ferric Ions on the Surfaces of Chalcopyrite and Pyrite in Flotation.

Authors: Zhang, Feng Zhang, Chenyang Zhang, Hongliang et al.

Source: JOM: The Journal of The Minerals, Metals & Materials Society (TMS); Oct2023, Vol. 75 Issue 10, p4435-4445, 11p

Modification Mechanism and Method in Doping Co Atom Intog-C3N4 Based on the First Principle Calculation.

Authors: Hou, LiLi Liu, Ran Fan, YiHang et al.

Source: JOM: The Journal of The Minerals, Metals & Materials Society (TMS); Sep2023, Vol. 75 Issue 9, p3788-3795, 8p

Boron coordination and three‐membered ring formation in sodium borate glasses: a machine‐learning molecular dynamics study.

Authors: Kato, Takeyuki Lodesani, Federica Urata, Shingo

Source: Journal of the American Ceramic Society; May2024, Vol. 107 Issue 5, p2888-2900, 13p

Photoelectric and Magnetic Variation of Transition Metal-Doped Monolayer TiS2: A First-Principles Calculation.

Authors: Liu, Huaidong Yang, Lu Zhao, Yanshen et al.

Source: Journal of Superconductivity & Novel Magnetism; Mar2024, Vol. 37 Issue 3, p639-655, 17p

First-principles study on interfacial properties and the electronic structure of the Al(001)/MgAl2O4(001) interface.

Authors: Pan, Aiqiong Wang, Wenyan Zhang, Hui et al.

Source: Journal of Materials Science; Feb2024, Vol. 59 Issue 6, p2375-2389, 15p

Effect of tensile strain on the optoelectronic properties of defective Te systems MoTe2.

Authors: Shi, Zhihong Wang, Ying Yang, Nan et al.

Source: European Physical Journal B: Condensed Matter. May2025, Vol. 98 Issue 5, p1-11. 11p.

Subjects: Semiconductor materials, Absorption coefficients, Optical properties, Chemical bond lengths, Energy bands

Effects of Ti content on the microstructure and properties of AlCoCrFeNiTix high-entropy alloys prepared by laser cladding.

Authors: Lian, Guofu Yang, Jianghuai Que, Linzhi et al.

Source: Journal of Materials Science; Jan2024, Vol. 59 Issue 3, p1027-1043, 17p

Selective Adsorption Mechanism of Zinc Ions on the Surfaces of Galena and Sphalerite in the Flotation Separation of Pb-Zn.

Authors: Zhang, Feng Sun, Wei Zhang, Hongliang et al.

Source: JOM: The Journal of The Minerals, Metals & Materials Society (TMS); Nov2023, Vol. 75 Issue 11, p4808-4818, 11p

Enhancing the injected electron concentration and thermionic emission property in C12A7:e− ceramic via Al site Zr doping.

Authors: Luo, Zhuang Zhang, Xin Xiao, Yixin et al.

Source: Journal of the American Ceramic Society; Dec2022, Vol. 105 Issue 12, p7355-7365, 11p, 2 Color Photographs, 2 Diagrams, 8 Graphs

Insight into the Structural, Magneto-electronic, and Mechanical Characteristic of Y2MnZ (Z = Al, Ga, In) via DFT Computation.

Authors: Zouaneb, C. Dahmane, F. Seddik, T. et al.

Source: Journal of Superconductivity & Novel Magnetism; Jan2022, Vol. 35 Issue 1, p141-153, 13p

Effect of sulfur defects on the photoelectric and magnetic properties of metal-doped CrS2: first-principles study.

Authors: Liu, Huaidong Yang, Lu Wei, Xingbin et al.

Source: Structural Chemistry. Jun2024, Vol. 35 Issue 3, p923-941. 19p.

Influence of alkaline-earth metals (B = Be, Mg, Ca) doping on the structural, electronic, optoelectronic, thermodynamic, and core-level spectroscopic studies of CsBCl3 halide perovskites.

Authors: Ikot, Immaculata J. Louis, Hitler Ogunwale, Goodness J. et al.

Source: Journal of Materials Science; Apr2023, Vol. 58 Issue 15, p6656-6676, 21p, 1 Diagram, 2 Charts, 9 Graphs

Ab-initio technique to examine the mechanical, electronic, optical and thermal features of direct band-gap semiconductors APtSn (A = Ti, Zr, Hf, Th): an extended review.

Authors: Roy, Dayal Chandra Algethami, Norah Saha, Samiron Kumar et al.

Source: Optical & Quantum Electronics. Jul2025, Vol. 57 Issue 7, p1-35. 35p.

Monolayer BP: A Promising Photocatalyst for Water Splitting with High Carrier Mobility.

Authors: Shi, Tianlong Yan, Wei Zhang, Zicheng et al.

Source: Catalysis Letters. Jan2024, Vol. 154 Issue 1, p42-49. 8p.