J. Guerrero‐Sanchez

发表

Structural properties and thermal stability of multi-walled black phosphorene nanotubes and their operation as temperature driven nanorotors.

N. Takeuchi, J. Guerrero-Sánchez, Gustavo Cuba-Supanta, 2020, Nanoscale.

Understanding the Selectivity of the Oxygen Reduction Reaction at the Atomistic Level on Nitrogen‐Doped Graphitic Carbon Materials

R. M. Félix-Navarro, J. Romo-Herrera, O. Contreras, 2020, Advanced Energy Materials.

N-Doped carbon nanotubes enriched with graphitic nitrogen in a buckypaper configuration as efficient 3D electrodes for oxygen reduction to H2O2.

J. Romo-Herrera, H. Tiznado, O. Contreras, 2019, Nanoscale.

Opening the germanene monolayer band gap using halogen atoms: An efficient approach studied by first-principles calculations

D. K. Nguyen, G. Cocoletzi, D. M. Hoat, 2021, Applied Surface Science.

An investigation on the stability, electronic, and optical properties of new MoSO-WSO lateral heterostructures

H. Thuy, D. M. Hoat, J. Guerrero-Sánchez, 2022, Applied Surface Science.

Boosting oxygen activation in ceria-oxide via gallium addition

T. Zepeda, S. Fuentes, S. Gómez, 2023, Applied Catalysis B: Environmental.

Chlorine in NiO promotes electroreduction of CO2 to formate

C. Flox, T. Kallio, M. Vandichel, 2022, Applied Materials Today.

Tuning the electronic and thermoelectric properties of selenium monolayers through atomic impurities: A DFT study

R. González-Hernández, W. López‐Pérez, L. Ramírez-Montes, 2023, Solid State Communications.

Nitrogen-induced reconstructions on the Cr(001) surface

A. Smith, N. Takeuchi, J. Guerrero-Sánchez, 2019, Applied Surface Science.

Adsorption and Reactivity of Chiral Modifiers in Heterogeneous Catalysis: 1-(1-Naphthyl)ethylamine on Pt Surfaces

F. Zaera, Zihao Wang, N. Takeuchi, 2022, ACS Catalysis.

Understanding the Noncollinear Antiferromagnetic IrMn3 Surfaces and Their Exchange-Biased Heterostructures from First-Principles

Daniel Maldonado-Lopez, N. Takeuchi, J. Guerrero-Sánchez, 2020, 2010.07371.

Electronic and magnetic properties of the WSO Janus monolayer engineered by intrinsic defects

D. K. Nguyen, Tuan V. Vu, D. M. Hoat, 2022, Surfaces and Interfaces.

Adsorption of acetic acid and benzoic acid on pristine and defect containing graphene: a DFT study

R. García, Raul Ochoa, C. Gallardo-Vega, 2021, Computational and Theoretical Chemistry.

Defective and doped MgO monolayer as promising 2D materials for optoelectronic and spintronic applications

G. Cocoletzi, Tuan V. Vu, D. M. Hoat, 2022, Materials Science in Semiconductor Processing.

Adsorption and dissociation of NO2 on silicene

N. Takeuchi, J. Guerrero-Sánchez, H. N. Fernandez‐Escamilla, 2019 .

Selective incorporation of Fe and Co into the Ni2MnGa (001) surfaces: a DFT analysis

J. Guerrero-Sánchez, R. Ponce-Pérez, M. G. Moreno-Armenta, 2022, Surfaces and Interfaces.

First-principles study of SiC and GeC monolayers with adsorbed non-metal atoms

D. K. Nguyen, D. M. Hoat, L. T. Hà, 2023, RSC advances.

Interface formation for a ferromagnetic/antiferromagnetic bilayer system studied by scanning tunneling microscopy and first-principles theory

A. Smith, A. Mandru, N. Takeuchi, 2015 .

Kinetic Study of the Hydrogenation of Unsaturated Aldehydes Promoted by CuPtx/SBA-15 Single-Atom Alloy (SAA) Catalysts

Ilkeun Lee, Xinggui Zhou, F. Zaera, 2020 .

Controlling Selectivity in Unsaturated Aldehyde Hydrogenation Using Single-Site Alloy Catalysts

Ilkeun Lee, Xinggui Zhou, F. Zaera, 2019, ACS Catalysis.

Ge2Sb2Se5 Glass as High-capacity Promising Lithium-ion Battery Anode

V. Pol, M. Shalaginov, K. Richardson, 2020 .

Atomic-Scale Understanding of Li Storage Processes in the Ti4C3 and Chemically Ordered Ti2Ta2C3 MXenes: A Theoretical and Experimental Assessment

Nirmala Grace Andrews, V. Pol, Daniel Maldonado-Lopez, 2022, ACS Applied Energy Materials.

Predicting the stability and electronic structure of alkali metal aurides

J. Siqueiros, D. M. Hoat, J. Guerrero-Sánchez, 2021, Journal of physics. Condensed matter : an Institute of Physics journal.

Density functional theory studies of the adsorption of hydrogen sulfide on aluminum doped silicane

G. Canto, G. Cocoletzi, N. Takeuchi, 2013, Journal of Molecular Modeling.

Evidence of quasi-2D Fermi surface and non-trivial electronic topology in kagome lattice magnet GdV6Sn6 using de Haas van Alphen oscillations

D. Graf, B. Wilson, M. Asmar, 2023, 2306.17282.

Pt2mnga (001) Surface Stability and its Effect on the Magnetic and Electronic Properties: A Dft Study

E. Pérez-Tijerina, N. Takeuchi, J. Guerrero-Sánchez, 2022, SSRN Electronic Journal.

Adsorption of sorbitan ester surfactant on Copper and Cuprous oxide surfaces: A Density Functional Theory study

H. Tiznado, J. Guerrero-Sánchez, R. Ponce-Pérez, 2022, Applied Surface Science.

Formaldehyde adsorption on a hydrogenated gallium nitride monolayer: A density functional theory study

N. Takeuchi, J. Guerrero-Sánchez, H. N. Fernandez‐Escamilla, 2020 .

Formaldehyde trapping by radical initiated reaction on hydrogenated boron nitride

C. Landauro, N. Takeuchi, J. Guerrero-Sánchez, 2019, Applied Surface Science.

First-principles prediction of 1H-Na2Se monolayer: effects of external strain and point defects associated with constituent atoms

D. K. Nguyen, D. M. Hoat, T. Vu, 2022, Physica Scripta.

An atomistic study on the structural and thermodynamic properties of Al–Fe bimetallic nanoparticles during melting and solidification: The role of size and composition

C. Landauro, N. Takeuchi, J. Guerrero-Sánchez, 2022, Materials Chemistry and Physics.

Theoretical investigation of the MXene precursors MoxV4-xAlC3 (0 ≤ x ≤ 4)

D. M. Hoat, J. Guerrero-Sánchez, R. Ponce-Pérez, 2023, Scientific Reports.

HfXO (X = S and Se) Janus monolayers as promising two-dimensional platforms for optoelectronic and spintronic applications

D. K. Nguyen, D. M. Hoat, J. Guerrero‐Sanchez, 2023, Journal of Materials Research.

First‐principles investigation of the (HfSe 2 ) 4− n –(HfSSe) n ( n = 0, 1, 2, 3, 4) lateral heterostructures

G. Cocoletzi, D. M. Hoat, J. Rivas-Silva, 2021, International Journal of Quantum Chemistry.

Tuning MoSO monolayer properties for optoelectronic and spintronic applications: effect of external strain, vacancies and doping

D. K. Nguyen, G. Cocoletzi, D. M. Hoat, 2021, RSC advances.

The effect of shape and size in the stability of triangular Janus MoSSe quantum dots

D. Galván, D. M. Hoat, E. Murillo-Bracamontes, 2021, Scientific Reports.

On The Stability of Triangular Janus MoSSe Quantum-Dots: Shape and Size Effects

D. Galván, D. M. Hoat, E. Murillo-Bracamontes, 2021 .

Nitrogen doping and oxygen vacancy effects on the fundamental properties of BeO monolayer: a DFT study

D. K. Nguyen, G. Cocoletzi, D. M. Hoat, 2021, Journal of physics. Condensed matter : an Institute of Physics journal.

A new family of copper-based MXenes

J. Guerrero-Sánchez, R. Ponce-Pérez, S. Gutiérrez-Ojeda, 2021, Scientific Reports.

Ab-initio study of ReCN in the bulk and as a new two dimensional material

N. Takeuchi, J. Guerrero-Sánchez, A. Reyes-Serrato, 2017, Scientific Reports.

Chromium nanostructure formation on the GaAs(1 1 1)–(2 × 2) surface: First principles studies

D. Mosca, G. Cocoletzi, L. M. Garza, 2018, Applied Surface Science.

Room-temperature ferromagnetism on ZnO nanoparticles doped with Cr: An experimental and theoretical analysis

J. Siqueiros, O. Herrera, J. Guerrero-Sánchez, 2020 .

Tuning the electronic and magnetic properties of MgO monolayer by nonmetal doping: A first-principles investigation

D. M. Hoat, J. Guerrero-Sánchez, Vo Van On, 2023, Materials Today Communications.

A first-principles study of the atomic layer deposition of ZnO on carboxyl functionalized carbon nanotubes: the role of water molecules.

H. Tiznado, N. Takeuchi, H. Borbón-Nuñez, 2021, Physical chemistry chemical physics : PCCP.

Understanding the first half-ALD cycle of the ZnO growth on hydroxyl functionalized carbon nanotubes.

H. Tiznado, N. Takeuchi, J. Guerrero-Sánchez, 2020, Physical chemistry chemical physics : PCCP.

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

D. M. Hoat, Phạm Quỳnh Trang, Vu Thi, 2023, RSC advances.

Soft removal of stearic acid self-assembled monolayer for area-selective atomic layer deposition

H. Tiznado, L. E. López-González, J. Guerrero‐Sanchez, 2023, Surfaces and Interfaces.

Density Functional Theory Study of the Adsorption and Dissociation of Copper(I) Acetamidinates on Ni(110): The Effect of the Substrate

F. Zaera, N. Takeuchi, J. Guerrero-Sánchez, 2020 .

Crotonaldehyde Adsorption on Cu-Pt Surface Alloys: A Quantum Mechanics Study

F. Zaera, N. Takeuchi, J. Guerrero-Sánchez, 2023, Chemistry.

Adsorption of crotonaldehyde on metal surfaces: Cu vs Pt.

F. Zaera, N. Takeuchi, J. Guerrero-Sánchez, 2021, The Journal of chemical physics.

Designing doping strategy in arsenene monolayer for spintronic and optoelectronic applications: a case study of germanium and nitrogen as dopants

D. M. Hoat, Dang Tuan Anh, C. V. Ha, 2022, Journal of physics. Condensed matter : an Institute of Physics journal.

YN nanostructure formation on the GaN(0 0 0 1) surface: First principles studies

G. Cocoletzi, J. Rivas-Silva, N. Takeuchi, 2015 .

Initial stages of the adsorption of Sc and ScN thin films on GaN(0 0 0 1): First principles calculations

G. Cocoletzi, J. Rivas-Silva, N. Takeuchi, 2013 .

Evaluating the detection and trapping of small gas molecules on hydrogenated siligene

E. Pérez-Tijerina, N. Takeuchi, J. Guerrero-Sánchez, 2022, Physica Scripta.

Engineering the electronic and magnetic properties of nitrogene monolayer and bilayer by doping: A first-principles study

D. K. Nguyen, G. Cocoletzi, D. M. Hoat, 2021 .

ZrSe2-HfSe2 lateral heterostructures: stability, fundamental properties, and interline defects

D. M. Hoat, J. Guerrero-Sánchez, Hoang Van Ngoc, 2023, Applied Physics A.

2D MnC4: A Room‐Temperature Antiferromagnetic System

E. Pérez-Tijerina, D. M. Hoat, N. Takeuchi, 2023, Advanced Theory and Simulations.

Structural stability and the electronic and magnetic properties of ferrimagnetic Mn 4 N(0 0 1) surfaces

N. Takeuchi, J. Guerrero-Sánchez, J. Guerrero‐Sanchez, 2017 .

Understanding the stability of Fe incorporation within Mn3N2(0 0 1) surfaces: An ab-initio study

A. Smith, A. Mandru, G. Cocoletzi, 2016 .

Structural, electronic and magnetic properties of Mn 3 N 2 (0 0 1) surfaces

A. Smith, A. Mandru, G. Cocoletzi, 2015 .

Reversible Lithium-Ion Storage in h-Bi2Ge3O9-Based Anode: Experimental and Theoretical Studies

V. Pol, S. Aguila, D. Sauceda, 2022, Journal of Electroanalytical Chemistry.

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

D. M. Hoat, J. Guerrero-Sánchez, A. Reyes-Serrato, 2023, Materials Today Communications.

Analytical solution to Scholte’s secular equation for isotropic elastic media

D. Galván, J. Antúnez-García, S. Fuentes-Moyado, 2021 .

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

D. K. Nguyen, R. Ponce-Pérez, J. Guerrero‐Sanchez, 2023, Journal of physics. Condensed matter : an Institute of Physics journal.

Oxygen Coverage Effect on the Magnetic Properties of the Cr2NOx (0 ≤ x ≤ 2) MXene

J. Guerrero-Sánchez, R. Ponce-Pérez, S. Gutiérrez-Ojeda, 2021, ACS Applied Electronic Materials.

Atomic-scale visualization of topological spin textures in the chiral magnet MnGe

M. Randeria, J. Gupta, R. Kawakami, 2020, Science.

A candidate exchange-biased vdW heterostructure based on Cr2NO2 and Cr2CF2 MXenes

D. M. Hoat, R. Ponce-Pérez, S. Gutiérrez-Ojeda, 2023, Materials Today Electronics.

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

D. K. Nguyen, D. M. Hoat, Huynh Anh Huy, 2023, Materials Today Communications.

Cr2Ge2Te6 nanoribbons with perpendicular magnetic anisotropy and half metallicity: a DFT study

J. Guerrero-Sánchez, R. Ponce-Pérez, M. G. Moreno-Armenta, 2022, Journal of Physics D: Applied Physics.

Strain Effects on the Two-Dimensional Cr2N MXene: An Ab Initio Study

D. M. Hoat, Daniel Maldonado-Lopez, J. Guerrero-Sánchez, 2022, ACS omega.

Dislocation structures, interfacing, and magnetism in the L10− MnGa on η⊥− Mn3N2 bilayer

A. Smith, D. Ingram, A. Mandru, 2019, Journal of Vacuum Science & Technology A.

Bismuth and Oxygen vacancies induce (2×1) reconstructions in Bismuth Oxyhalide (BiOX, X = Cl, Br, I) (001) surfaces

E. Pérez-Tijerina, C. D. Gutiérrez-Lazos, F. Solís-Pomar, 2023, Applied Surface Science.

Initial stages of the epitaxial growth of MnN on the GaAs (001)-(2 × 2) surface: First-principle study

G. Cocoletzi, J. Varalda, J. Guerrero-Sánchez, 2019, Applied Surface Science.

Oxygen adsorption on Graphene/GaN (0001) surface: A first-principles study

J. Rodríguez, E. Martínez-Aguilar, M. G. Moreno-Armenta, 2019 .

Ab initio study of the adsorption of SO_2 on single-atom Cu-decorated ZnO(0001) surface

J. Guerrero-Sánchez, H. N. Fernandez‐Escamilla, R. Garcia-Diaz, 2023, Journal of Molecular Modeling.

Role of oligomer structures in the surface chemistry of amidinate metal complexes used for atomic layer deposition of thin films

F. Zaera, N. Takeuchi, J. Guerrero-Sánchez, 2019, Journal of Materials Research.

S0884291419002930 720..731

F. Zaera, N. Takeuchi, J. Guerrero-Sánchez, 2020 .

First-principles study of indium nitride monolayers doped with alkaline earth metals

D. K. Nguyen, J. Guerrero‐Sanchez, D. M. Hoat, 2023, RSC advances.

Feature-rich electronic and magnetic properties in silicene monolayer induced by nitrogenation: A first-principles study

G. Cocoletzi, D. M. Hoat, J. Rivas-Silva, 2023, Chemical Physics.

Exploration of new direct gap semiconductor Na2X (X = S and Se) monolayers

D. K. Nguyen, D. M. Hoat, J. Guerrero-Sánchez, 2022, Applied Surface Science.

Hexagonal boron phosphide monolayer exfoliation induced by arsenic incorporation in the BP (1 1 1) surface: A DFT study

G. Cocoletzi, J. Guerrero-Sánchez, R. Ponce-Pérez, 2021 .

Chemical functionalization of low-buckled SiGe monolayer: Effects on the electronic and magnetic properties

D. K. Nguyen, G. Cocoletzi, Tuan V. Vu, 2022, Materials Science in Semiconductor Processing.

Atomic-scale understanding of the Na and Cl trapping on the Mo1.33C(OH)2-MXene

N. Takeuchi, J. Guerrero-Sánchez, D. Muñoz-Pizza, 2022, Scientific Reports.

Electronic and magnetic properties of GeS monolayer effected by point defects and doping

Vo Van On, J. Guerrero‐Sanchez, D. M. Hoat, 2024, RSC advances.

Point Defects in Buckled Honeycomb PAs Monolayer: A Systematic Study of Stability, Electronic, and Magnetic Properties

D. K. Nguyen, D. M. Hoat, Huynh Anh Huy, 2023, Advanced Theory and Simulations.

Graphene nanostructures functionalization: hydrogen bonds and oxide coverage effect

D. Galván, H. Ariza-Calderón, J. J. Prias-Barragán, 2023, Materials Today Communications.

A new family of NaTMGe (TM = 3d transition metals) half-Heusler compounds: the role of TM modification

D. K. Nguyen, G. Cocoletzi, D. M. Hoat, 2022, RSC advances.

Puckered arsenene single-walled nanotubes: Stability, geometry, and electronic properties

N. Takeuchi, E. Martínez-Guerra, J. J. Quijano-Briones, 2019, Computational Materials Science.

Silicene as an efficient way to fully inactivate the SO2 pollutant

N. Takeuchi, J. Guerrero-Sánchez, D. Muñoz-Pizza, 2019, Applied Surface Science.

Multi- k magnetic structure and large anomalous Hall effect in candidate magnetic Weyl semimetal NdAlGe

D. Graf, B. Wilson, J. Bacsa, 2023, Physical Review B.

Manganese‑germanium nanostructure formation on the GaAs(111)–(1 × 1)A surface: Stability and magnetic properties

D. H. Mosca, J. Varalda, M. L., 2019, Applied Surface Science.

Coadsorption of Formic Acid and Hydrazine on Cu(110) Single-Crystal Surfaces

F. Zaera, Yunxi Yao, N. Takeuchi, 2019 .