Zobrazeno 1 - 10 of 358 pro vyhledávání: '"D M Hoat"'
1
Akademický článek
Theoretical investigation of the MXene precursors MoxV4-xAlC3 (0 ≤ x ≤ 4)
Autor: Ma. Guadalupe Moreno-Armenta, J. Guerrero-Sánchez, S. J. Gutiérrez-Ojeda, H. N. Fernández-Escamilla, D. M. Hoat, R. Ponce-Pérez
Publikováno v: Scientific Reports, Vol 13, Iss 1, Pp 1-9 (2023)
Abstract By first-principles total-energy calculations, we investigated the thermodynamic stability of the MAX solid solution MoxV4-xAlC3 in the 0 ≤ x ≤ 4 range. Results evidence that lattice parameter a increases as a function of Mo content, whi
Externí odkaz: https://doaj.org/article/f549f93980114a80a4fed722b87b312f
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2
Akademický článek
Theoretical prediction of two-dimensional BC2X (X = N, P, As) monolayers: ab initio investigations
Autor: A. Bafekry, M. Naseri, M. Faraji, M. M. Fadlallah, D. M. Hoat, H. R. Jappor, M. Ghergherehchi, D. Gogova, H. Afarideh
Publikováno v: Scientific Reports, Vol 12, Iss 1, Pp 1-10 (2022)
Abstract In this work, novel two-dimensional BC $$_2$$ 2 X (X = N, P, As) monolayers with X atoms out of the B–C plane, are predicted by means of the density functional theory. The structural, electronic, optical, photocatalytic and thermoelectric
Externí odkaz: https://doaj.org/article/9661179445d742f381d01b36c159d58a
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3
Akademický článek
The effect of shape and size in the stability of triangular Janus MoSSe quantum dots
Autor: J. I. Paez-Ornelas, R. Ponce-Pérez, H. N. Fernández-Escamilla, D. M. Hoat, E. A. Murillo-Bracamontes, María G. Moreno-Armenta, Donald H. Galván, J. Guerrero-Sánchez
Publikováno v: Scientific Reports, Vol 11, Iss 1, Pp 1-11 (2021)
Abstract Asymmetric Janus transition metal dichalcogenide MoSSe is a promising catalytic material due to the intrinsic in-plane dipole of its opposite faces. The atomic description of the structures observed by experimental techniques is relevant to
Externí odkaz: https://doaj.org/article/86a79f79106b446ba157e26b06e5a2b5
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7
Half-metallic and magnetic semiconductor behavior in CdO monolayer induced by acceptor impurities
Autor: R. Ponce-Pérez, J. Guerrero-Sanchez, D. M. Hoat
Publikováno v: Physical Chemistry Chemical Physics. 25:14266-14273
A doping approach is explored as a possible method to induce novel features in the CdO monolayer for spintronic applications.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3e7b2100be5b127a32a68a3b2541e401
https://doi.org/10.1039/d3cp01268a
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8
Novel germanene–arsenene and germanene–antimonene lateral heterostructures: interline-dependent electronic and magnetic properties
Autor: Chu Viet Ha, Bich Ngoc Nguyen Thi, Pham Quynh Trang, R. Ponce-Pérez, J. Guerrero-Sanchez, D. M. Hoat
Publikováno v: Physical Chemistry Chemical Physics. 25:14502-14510
The optimized atomic structure of a Ge4–As4 (violet ball: Ge and green ball: As) lateral heterostructure with (a) armchair and (b) zigzag interlines.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::481f444ab6c96a57f1a4107fc9dd4f62
https://doi.org/10.1039/d3cp00828b
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10
Introducing the 1H-Na2S monolayer as a new direct gap semiconductor with feature-rich electronic and magnetic properties
Autor: Duy Khanh Nguyen, J. Guerrero-Sanchez, D. M. Hoat
Publikováno v: Physical Chemistry Chemical Physics. 24:27505-27514
(a) Planar average potential (inset: Bader charge analysis) and (b) electronic localization function (iso-surface value: 0.85) of the Na2S monolayer.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::69dd5671a248aa498b50e20b460d12c3
https://doi.org/10.1039/d2cp04613j
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