Electronic and optical properties of the buckled and puckered phases of phosphorene and arsenene von Galicia Hernandez, Jose Mario, Fernandez-Escamilla, H. N., Guerrero Sanchez, J., Takeuchi, Noboru

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Doped penta-graphene and hydrogenation of its related structures: a structural and electronic DFT-D study von Quijano-Briones, J J, Fernández-Escamilla, H N, Tlahuice-Flores, A

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Theoretical investigation of the MXene precursors MoxV4-xAlC3 (0 ≤ x ≤ 4) von Moreno-Armenta, Ma. Guadalupe, Guerrero-Sánchez, J., Gutiérrez-Ojeda, S. J., Fernández-Escamilla, H. N., Hoat, D. M., Ponce-Pérez, R.

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A first-principles study of the atomic layer deposition of ZnO on carboxyl functionalized carbon nanotubes: the role of water molecules von Paez-Ornelas, J. I, Fernández-Escamilla, H. N, Borbón-Nuñez, H. A, Tiznado, H, Takeuchi, Noboru, Guerrero-Sánchez, J

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Structural properties and thermal stability of multi-walled black phosphorene nanotubes and their operation as temperature driven nanorotors von Cuba-Supanta, Gustavo, Fernández-Escamilla, H. N, Guerrero-Sanchez, J, Rojas-Tapia, J, Takeuchi, Noboru

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The effect of shape and size in the stability of triangular Janus MoSSe quantum dots von Paez-Ornelas, J. I., Ponce-Pérez, R., Fernández-Escamilla, H. N., Hoat, D. M., Murillo-Bracamontes, E. A., Moreno-Armenta, María G., Galván, Donald H., Guerrero-Sánchez, J.

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Chiral phosphorus nanotubes: structure, bonding, and electronic properties von Fernández-Escamilla, H N, Quijano-Briones, J J, Tlahuice-Flores, A

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Structural transition induced by compression and stretching of puckered arsenene nanotubes von Quijano-Briones, J. J, Fernández-Escamilla, H. N, Guerrero-Sánchez, J, Martínez-Guerra, E, Takeuchi, Noboru

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Transition metal (Ti, Cu, Zn, Pt) single-atom modified graphene/AS 2 (A = Mo, W) van der Waals heterostructures for removing airborne pollutants von Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, Romero de la Cruz, María Teresa, Avila-Alvarado, Yuliana, Fernandez-Escamilla, H N, Hernández Cocoletzi, Gregorio, Guerrero-Sanchez, J

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Controlling the magnetic alignment at the MnGa/Co2MnSi interface: A DFT study von Tellez-Mora, A., Fernandez-Escamilla, H.N., Ponce-Perez, R., Takeuchi, Noboru, Guerrero-Sanchez, J.

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Transition metal (Ti, Cu, Zn, Pt) single-atom modified graphene/AS2 (A = Mo, W) van der Waals heterostructures for removing airborne pollutants von Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, María Teresa Romero de la Cruz, Avila-Alvarado, Yuliana, Fernandez-Escamilla, H N, Gregorio Hernández Cocoletzi, Guerrero-Sanchez, J

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Exploring nitrogen-mediated effects on Fe and Cu cluster development in graphene: a DFT study von Alvarado-Leal, L A, Paez-Ornelas, J I, Ruiz-Robles, M A, Guerrero-Sánchez, J, Romo-Herrera, J M, Fernández-Escamilla, H N, Takeuchi, Noboru, Perez-Tijerina, E G

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Understanding the Role of Oxygen Vacancies in the Stability of ZnO(0001)-(1 × 3) Surface Reconstructions von Paez-Ornelas, J. I, Ponce-Perez, R, Fernández-Escamilla, H. N, Murillo-Bracamontes, E, Borbón-Nuñez, H. A, Corbett, Joseph P, Moreno Armenta, Ma Guadalupe, Guerrero-Sánchez, J

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Structural and Electronic Properties of Double-Walled Black Phosphorene Nanotubes: A Density Functional Theory Study von Fernández-Escamilla, H. N, Guerrero-Sánchez, J, Martínez-Guerra, E, Takeuchi, N

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Evaluating the detection and trapping of small gas molecules on hydrogenated siligene von Villarreal-Franco, L G, Fernandez-Escamilla, H N, Paez-Ornelas, J I, Ponce-Perez, R, Quijano-Briones, J J, Perez-Tijerina, E G, Takeuchi, Noboru, Guerrero-Sánchez, J

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Ab initio study of the adsorption of SO2 on single-atom Cu-decorated ZnO(0001) surface von Camarillo-Salazar, Erika, Garcia-Diaz, Reyes, Romero de la Cruz, María Teresa, Avila-Alvarado, Yuliana, Fernandez-Escamilla, H. N., Guerrero-Sanchez, J., Hernández Cocoletzi, Gregorio

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The effect of strain on the structural and dynamical stability of hydrogenated penta-C2Ge: a density functional theory study von Quijano-Briones, J J, Fernández-Escamilla, H N, Guerrero-Sánchez, J, Martínez-Guerra, E, Takeuchi, Noboru

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Adsorption of dimethyl sulfoxide on blue phosphorene von Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Garcia-Diaz, Reyes, Martínez-Guerra, E., Takeuchi, N.

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Adsorption and diffusion mechanisms of silver ad-atoms on Ag and Cu (110) surfaces: A first principles study von Paez-Ornelas, J.I., Fernández -Escamilla, H.N., Takeuchi, Noboru, Guerrero- Sánchez, J.

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Adsorption and dissociation of NO2 on silicene von Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Martínez-Guerra, E., Takeuchi, N.

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