Hoat DM - Search Results

1

Theoretical prediction of 2D XI₂ (X=Si, Ge, Sn, Pb) monolayers by density functional theory.

Naseri M, Hoat DM, Salehi K, Amirian S. Naseri M, et al. Among authors: hoat dm. J Mol Graph Model. 2020 Mar;95:107501. doi: 10.1016/j.jmgm.2019.107501. Epub 2019 Nov 19. J Mol Graph Model. 2020. PMID: 31787502

2

Structural, electronic, optical and thermodynamic properties of AeBi₂O₆ (Ae = Sr and Ba): Insights from first principles study.

Hoat DM. Hoat DM. J Mol Graph Model. 2019 Jul;90:153-160. doi: 10.1016/j.jmgm.2019.05.001. Epub 2019 May 7. J Mol Graph Model. 2019. PMID: 31085499

3

First principles investigation on elastic, optoelectronic and thermoelectric properties of KYX (X = Ge, Sn and Pb) half-heusler compounds.

Naseri M, Hoat DM. Naseri M, et al. Among authors: hoat dm. J Mol Graph Model. 2019 Nov;92:249-255. doi: 10.1016/j.jmgm.2019.08.002. Epub 2019 Aug 9. J Mol Graph Model. 2019. PMID: 31422197

4

First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate.

Obeid MM , Stampfl C , Bafekry A , Guan Z , Jappor HR , Nguyen CV , Naseri M , Hoat DM , Hieu NN , Krauklis AE , Vu TV , Gogova D . Obeid MM , et al. Among authors: hoat dm. Phys Chem Chem Phys. 2020 Jul 21;22(27):15354-15364. doi: 10.1039/d0cp02007a. Epub 2020 Jun 26. Phys Chem Chem Phys. 2020. PMID: 32589177

5

New equiatomic quaternary Heusler compounds without transition metals KCaBX (X = S and Se): Robust half-metallicity and optical properties.

Hoat DM, Hoang DQ, Naseri M, Ponce-Pérez R, Binh NT, Rivas-Silva JF, Cocoletzi GH. Hoat DM, et al. J Mol Graph Model. 2020 Nov;100:107642. doi: 10.1016/j.jmgm.2020.107642. Epub 2020 Jun 20. J Mol Graph Model. 2020. PMID: 32688130

6

Two-dimensional buckled tetragonal cadmium chalcogenides including CdS, CdSe, and CdTe monolayers as photo-catalysts for water splitting.

Naseri M, Bafekry A, Faraji M, Hoat DM, Fadlallah MM, Ghergherehchi M, Sabbaghi N, Gogova D. Naseri M, et al. Among authors: hoat dm. Phys Chem Chem Phys. 2021 Jun 2;23(21):12226-12232. doi: 10.1039/d1cp00317h. Phys Chem Chem Phys. 2021. PMID: 34009225

7

The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations.

Bafekry A, Shojai F, Hoat DM, Shahrokhi M, Ghergherehchi M, Nguyen C. Bafekry A, et al. Among authors: hoat dm. RSC Adv. 2020 Aug 17;10(51):30398-30405. doi: 10.1039/d0ra05587e. eCollection 2020 Aug 17. RSC Adv. 2020. PMID: 35516017 Free PMC article.

8

Computational prediction of the spin-polarized semiconductor equiatomic quaternary Heusler compound MnVZrP as a spin-filter.

Hoat DM, Hoang DQ, Naseri M, Rivas-Silva JF, Kartamyshev AI, Cocoletzi GH. Hoat DM, et al. RSC Adv. 2020 Jul 7;10(43):25609-25617. doi: 10.1039/d0ra04633g. eCollection 2020 Jul 3. RSC Adv. 2020. PMID: 35518578 Free PMC article.

9

Structural, electronic and optical properties of pristine and functionalized MgO monolayers: a first principles study.

Hoat DM, Van On V, Nguyen DK, Naseri M, Ponce-Pérez R, Vu TV, Rivas-Silva JF, Hieu NN, Cocoletzi GH. Hoat DM, et al. RSC Adv. 2020 Nov 6;10(66):40411-40420. doi: 10.1039/d0ra05030j. eCollection 2020 Nov 2. RSC Adv. 2020. PMID: 35520824 Free PMC article.

10

Theoretical prediction of two-dimensional BC₂X (X = N, P, As) monolayers: ab initio investigations.

Bafekry A, Naseri M, Faraji M, Fadlallah MM, Hoat DM, Jappor HR, Ghergherehchi M, Gogova D, Afarideh H. Bafekry A, et al. Among authors: hoat dm. Sci Rep. 2022 Dec 23;12(1):22269. doi: 10.1038/s41598-022-26805-8. Sci Rep. 2022. PMID: 36564522 Free PMC article.

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