Publications

Surface functionalization of graphene-like boron arsenide monolayer: A first-principles study

Duy Khanh Nguyen, R. Ponce-Pérez, J. Guerrero-Sanchez, and D. M. Hoat*. Surface functionalization of graphene-like boron arsenide monolayer: A first-principles study. Journal of Physics: Condensed Matter (2023)

10.1088/1361-648X/ad05fa

First-principles study of the C- and Si-doped buckled honeycomb PN monolayer

Vo Van On, Chu Viet Ha, J. Guerrero-Sanchez, and D. M. Hoat*. First-principles study of the C- and Si-doped buckled honeycomb PN monolayer. Advanced Theory and Simulations (2023)

https://doi.org/10.1002/adts.202300593

Atomic-scale study of the TiO2-GR nanohybrid formation by ALD: The effect of the gas phase precursor

Jonathan E. Rodríguez Hueso, H.A. Borbón-Nuñez, R. Ponce-Pérez, D.M. Hoat, N. Takeuchi, H. Tiznado, Jonathan Guerrero-Sánchez. Atomic-scale study of the TiO2-GR nanohybrid formation by ALD: The effect of the gas phase precursor. Nanoscale Advances (2023)

https://doi.org/10.1039/D3NA00729D

Spin-Polarized Total-Energy Calculations on Designing Magnetic SingleAtom Catalysts on the ZnO Surface with Pt and Pd

Jimena Magdalena Jacobo-Fernández, Carlos Antonio Corona-García1, Rodrigo Ponce-Pérez, Hugo Alejandro Borbón-Nuñez, Do Minh Hoat, Armando Reyes-Serrato, Jonathan Guerrero-Sánchez. Spin-Polarized Total-Energy Calculations on Designing Magnetic SingleAtom Catalysts on the ZnO Surface with Pt and Pd. ACS Applied Nano Materials (2023)

https://doi.org/10.1021/acsanm.3c02944

Point defects in buckled honey comb PAs monolayer: A systematic study of stability, electronic, and magnetic properties

Huynh Anh Huy, Bao-Thien Nguyen-Tat, Duy Khanh Nguyen, J. Guerrero-Sanchez, and D. M. Hoat*. Point defects in buckled honey comb PAs monolayer: A systematic study of stability, electronic, and magnetic properties. Advanced Theory and Simulations (2023)

https://doi.org/10.1002/adts.202300416

Functionalization of ionic honeycomb KF monolayer via doping

Huynh Anh Huy, Duy Khanh Nguyen, Chu Viet Ha, Dang Duc Toan, Hang Nga Nguyen, J. Guerrero-Sanchez, and D. M. Hoat* . Functionalization of ionic honeycomb KF monolayer via doping. Nanoscale Advances (2023)

https://doi.org/10.1039/D3NA00351E

Electronic and magnetic properties of SnC monolayer doped with 3d transition metals: A fist-principles study

Huynh Anh Huy, Duy Khanh Nguyen, R. Ponce-Perez, J. Guerrero-Sanchez, and D. M. Hoat* . Electronic and magnetic properties of SnC monolayer doped with 3d transition metals: A fist-principles study. Materials Today Communications (2023)

https://doi.org/10.1016/j.mtcomm.2023.106511

Semiconductor and topological phases in lateral heterostructures constructed from germanene and AsSb monolayers

Chu Viet Ha, Bich Ngoc Nguyen Thi, Pham Quynh Trang, R. Ponce-Pérez, Vu Thi Kim Lien, J. Guerrero-Sanchez, and D. M. Hoat* . Semiconductor and topological phases in lateral heterostructures constructed from germanene and AsSb monolayers. RSC Advances (2023)

https://doi.org/10.1039/D3RA01867A

Furfural adsorption on the g-C3N4 monolayer: a DFT analysis

Sergio Castillo-Robles, R. Ponce-Pérez, J.I. Paez-Ornelas, D.M. Hoat, A. Reyes-Serrato, J. Guerrero-Sanchez . Furfural adsorption on the g-C3N4 monolayer: a DFT analysis. Materials Today Communications (2023)

https://doi.org/10.1016/j.mtcomm.2023.106288

Convergence of Extrapolated Dynamic StringAveraging Cutter Methods and Applications

Nguyen Buong, Nguyen Duong Nguyen . Convergence of Extrapolated Dynamic StringAveraging Cutter Methods and Applications. East Asian Journal on Applied Mathematics (2023)

https://doi.org/10.4208/eajam.2022-177.220922

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Publications