Ernesto Chigo-Anota

Prof. Ernesto Chigo-Anota

Benemérita Universidad Autónoma de Puebla, Puebla City, Mexico
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Research Focus & Metrics

Academic Career Length

17Years (2010-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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3 August 2010 in Journal of Molecular Modeling
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Journal Article
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JRJ. J. Hernández Rosas
J. J. Hernández Rosas
RGR. E. Ramírez Gutiérrez
R. E. Ramírez Gutiérrez
AMAlejandro Escobedo Morales
Alejandro Escobedo Morales
ECErnesto Chigo-Anota
Ernesto Chigo-Anota

1 January 2019 in Journal of Molecular Graphics and Modelling
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Journal Article
Closed access
JEJ. Carreto Escobar
J. Carreto Escobar
MVM. Salazar Villanueva
M. Salazar Villanueva
AHA. Bautista Hernández
A. Bautista Hernández
DCDiego Cortés-Arriagada
Diego Cortés-Arriagada
ECErnesto Chigo-Anota
Ernesto Chigo-Anota

24 February 2018 in Applied Nanoscience
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Journal Article
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ECErnesto Chigo-Anota
Ernesto Chigo-Anota
MVM. Salazar Villanueva
M. Salazar Villanueva
ESE. Shakerzadeh
E. Shakerzadeh
CMCastro Miguel
Castro Miguel

12 July 2017 in New Journal of Chemistry
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Journal Article
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JOJ. Cano Ordaz
J. Cano Ordaz
ECErnesto Chigo-Anota
Ernesto Chigo-Anota
MVM. Salazar Villanueva
M. Salazar Villanueva
MCM. Castro
M. Castro
Functionalization of a boron nitride fullerene (BNF−), having homo-nuclear nitrogen bonds, with a magnetic octahedral boron cluster (B6 −) is addressed in this work by means of density functional theory. Adsorption of the antibiotic dapsone molecule on the magnetic [BNF:B6]− nanocomposite is also studied. There is a geometric transition of the B6 − cluster, from the octahedral to pyramidal pentagonal form, when it is adsorbed on the BN fullerene. The adsorption energy (−8.52 eV) reveals a strong interaction between them. The [BNF:B6]− nanocomposite exhibits electronic behavior like a conductor, intrinsic magnetism (1.0 μB), high polarity, and low chemical reactivity, suggesting that this functionalized fullerene is a good candidate for use as a nano-vehicle for drug delivery. Further, these quantum descriptors remain invariant when such magnetic systems ([BN]− fullerene and [BNF:B6]− nanocomposite) interact with a dapsone molecule. Additionally, low chemisorption (Ead = −0.71 and −0.75 eV, respectively) is achieved; therefore, they have practically the same technological applications as the pristine cases.

1 February 2016 in RSC Advances
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Journal Article
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ECErnesto Chigo-Anota
Ernesto Chigo-Anota
MAM. Acosta Alejandro
M. Acosta Alejandro
AHA. Bautista Hernández
A. Bautista Hernández
JTJ. J. Soancatl Torres
J. J. Soancatl Torres
MCM. Castro
M. Castro
Density functional theory based methods were used for the analysis of the interaction between BC 3 (a graphene nanosheet doped with boron), pristine and with point defects (vacancies of carbon – V C and boron – V B ), and the H 2 O molecule.

2 December 2017 in Fullerenes, Nanotubes and Carbon Nanostructures
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Journal Article
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AJA. Rodríguez Juárez
A. Rodríguez Juárez
ECErnesto Chigo-Anota
Ernesto Chigo-Anota
HCH. Hernández Cocoletzi
H. Hernández Cocoletzi
JRJ. F. Sánchez Ramírez
J. F. Sánchez Ramírez
CMCastro Miguel
Castro Miguel
In this work are studied the electronic and structural properties of armchair boron nitride/carbon nanotubes using first principles calculations. The density functional within the generalized gradient approximation (HSEh1PBE-GGA) is used. For each composition, different bonding schemes for the construction of the hybrid systems were employed. Among them, structural stability with neutral charge was determined for the following compositions: T1: B40N35C75H20, T2: B35N40C75H20, T3: B37N38C75H20, T4 : B37N37C76H20, and T7: B35N35C80H20. All these hybrid nanotubes have high polarity; the T3, T4 and T7 are semiconductors: whereas T1 and T2 are conductor in character. The formers also have magnetic behavior. These properties together with a low-chemical potential suggest applications as nano-vehicle for drug delivery. These mixed nanotubes also have potential applications in the electronic devices based on the small work function.