Search Results - "Guerrero‐Sánchez, J"

Adsorption of Acrolein, Crotonaldehyde, and Cinnamaldehyde on Pt(111) Surfaces: A Comparative DFT Study by Ponce Perez, R., Guerrero-Sánchez, J., Takeuchi, Noboru, Zaera, Francisco

“…Using ab initio calculations, we have investigated the adsorption of both S-cis and S-trans isomers of acrolein, crotonaldehyde, and cinnamaldehyde on the…”
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Density Functional Theory Study of the Surface Adsorption and Dissociation of Copper(I) Acetamidinates on Cu(110) Surfaces by Guerrero-Sánchez, J, Takeuchi, Noboru, Zaera, Francisco

“…Metal amidinates are common compounds with many applications, and are of particular value as precursors for the chemical deposition of thin metal films on…”
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Silicene as an efficient way to fully inactivate the SO2 pollutant by Guerrero-Sánchez, J., Munoz-Pizza, Dalia M., Takeuchi, Noboru

“…Sulfur dioxide (SO2) is a major air pollutant, responsible for the acid rain. As consequence, it has significant negative impacts on human health, and on the…”
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Formation of InN atomic-size wires by simple N adsorption on the In/Si(111)–(4×1) surface by Guerrero-Sánchez, J., Takeuchi, Noboru

“…•N atoms on the surface form bonds with two In atoms and one Si atom.•Surface formation energy calculations show two stable structures with formation of InN…”
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Exploring the capture and desorption of CO2 on graphene oxide foams supported by computational calculations by Arango Hoyos, Bryan E., Osorio, H. Franco, Valencia Gómez, E. K., Guerrero Sánchez, J., Del Canto Palominos, A. P., Larrain, Felipe A., Prías Barragán, J. J.

“…In the last decade, the highest levels of greenhouse gases (GHG) in the atmosphere have been recorded, with carbon dioxide (CO 2 ) being one of the GHGs that…”
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Antiferromagnetic MnN layer on the MnGa(001) surface by Guerrero-Sánchez, J., Takeuchi, Noboru

“…[Display omitted] •A ferromagnetic Gallium terminated surface is stable before N incorporation.•After N incorporation, an antiferromagnetic MnN layer becomes…”
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Theoretical investigation of the MXene precursors MoxV4-xAlC3 (0 ≤ x ≤ 4) by Moreno-Armenta, Ma. Guadalupe, Guerrero-Sánchez, J., Gutiérrez-Ojeda, S. J., Fernández-Escamilla, H. N., Hoat, D. M., Ponce-Pérez, R.

“…By first-principles total-energy calculations, we investigated the thermodynamic stability of the MAX solid solution Mo x V 4-x AlC 3 in the 0 ≤ x ≤ 4 range…”
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Understanding the Role of Oxygen Vacancies in the Stability of ZnO(0001)-(1 × 3) Surface Reconstructions by 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

“…The atomic-scale explanation of ZnO surface reconstructions is relevant to strengthen its use in technological applications and to guide experimental efforts…”
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Formaldehyde trapping by radical initiated reaction on hydrogenated boron nitride by Cuba-Supanta, Gustavo, Guerrero-Sánchez, J., Rojas-Tapia, J., Landauro, C.V., Takeuchi, Noboru

“…Using density functional theory, we have studied the trapping of formaldehyde on hydrogenated boron nitride nanosheets. On the nitrogen terminated side, the…”
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Reversible Lithium-Ion Storage in h-Bi2Ge3O9-Based Anode: Experimental and Theoretical Studies by Rodriguez, Jassiel R., Belman, Carlos, Aguirre, Sandra B., Simakov, Andrey, Aguila, Sergio A., Ponce-Pérez, R., Guerrero-Sánchez, J., Guadalupe Moreno, Ma, Sauceda, Daniel, Pol, Vilas G.

“…The new Li-ion host anode, h-Bi2Ge3O9, exhibits a remarkably high capacity after 200 cycles, which is promoted by its moderate volume expansion and its low…”
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The effect of shape and size in the stability of triangular Janus MoSSe quantum dots by 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.

“…Asymmetric Janus transition metal dichalcogenide MoSSe is a promising catalytic material due to the intrinsic in-plane dipole of its opposite faces. The atomic…”
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Genetic and environmental risk factors for vitiligo and melanoma in Pura Raza Español horses by Sánchez‐Guerrero, M. J., Solé, M., Azor, P. J., Sölkner, J., Valera, M.

“…Summary Background Vitiligo and melanoma are relatively common disorders in grey Pura Raza Español horses and other horse breeds with grey‐coloured coats…”
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Structural and Electronic Properties of Double-Walled Black Phosphorene Nanotubes: A Density Functional Theory Study by Fernández-Escamilla, H. N, Guerrero-Sánchez, J, Martínez-Guerra, E, Takeuchi, N

“…The exploration of new low-dimensional systems based on phosphorus atoms is an area of intensive research because of their properties. We use first-principles…”
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Genetic inbreeding depression load for morphological traits and defects in the Pura Raza Española horse by Poyato-Bonilla, Julia, Perdomo-González, Davinia I, Sánchez-Guerrero, María J, Varona, Luis, Molina, Antonio, Casellas, Joaquim, Valera, Mercedes

“…Inbreeding is caused by mating between related individuals and is associated with reduced fitness and performance (inbreeding depression). Several studies have…”
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Adsorption and dissociation of NO2 on silicene by Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Martínez-Guerra, E., Takeuchi, N.

“…Using Density Functional Theory, we have described the full inactivation of NO2 driven by silicene. NO2 is a harmful pollution-generating molecule, causing…”
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Differential Cytokine Expression and Regulatory Cells in Patients with Primary and Secondary Sjögren's Syndrome by Furuzawa‐Carballeda, J., Sánchez‐Guerrero, J., Betanzos, J. L., Enriquez, A. B., Avila‐Casado, C., Llorente, L., Hernández‐Molina, G.

“…Sjögren's syndrome (SS) is an autoimmune disease characterized by lymphocytic infiltration of the salivary and lacrimal glands. The aim of the study was to…”
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Adsorption of dimethyl sulfoxide on blue phosphorene by Fernández-Escamilla, H.N., Guerrero-Sánchez, J., Garcia-Diaz, Reyes, Martínez-Guerra, E., Takeuchi, N.

“…•Blue phosphorene can be used as a DMSO detector.•NEB shows that the reduction of DMSO to a less toxic molecule driven by blue phosphorene is thermodynamically…”
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Ab-initio study of ReCN in the bulk and as a new two dimensional material by Guerrero-Sánchez, J., Takeuchi, Noboru, Reyes-Serrato, A.

“…First principles total energy calculations have been applied to describe the ReCN bulk structure and the formation of ReCN monolayers and bilayers. Results…”
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Evaluating the detection and trapping of small gas molecules on hydrogenated siligene by 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

“…Abstract The use of new two-dimensional systems to detect and capture organic molecules remains a vital research area. In this work, we have investigated, by…”
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International consensus for a definition of disease flare in lupus by Ruperto, N, Hanrahan, LM, Alarcón, GS, Belmont, HM, Brey, RL, Brunetta, P, Buyon, JP, Costner, MI, Cronin, ME, Dooley, MA, Filocamo, G, Fiorentino, D, Fortin, PR, Franks, AG, Gilkeson, G, Ginzler, E, Gordon, C, Grossman, J, Hahn, B, Isenberg, DA, Kalunian, KC, Petri, M, Sammaritano, L, Sánchez-Guerrero, J, Sontheimer, RD, Strand, V, Urowitz, M, von Feldt, JM, Werth, VP, Merrill, JT

“…The Lupus Foundation of America (LFA) convened an international working group to obtain a consensus definition of disease flare in lupus. With help from the…”
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