Ernesto Chigo Anota

Benemérita Universidad Autónoma de Puebla — Mexico

Materials Science · Physical Sciences

31h-index2.9kcitations143works6.92yr avg
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Research Topics

Boron and Carbon Nanomaterials Research(84), Graphene research and applications(63), Fullerene Chemistry and Applications(33), MXene and MAX Phase Materials(21), Boron Compounds in Chemistry(13)

Publications143 total

Exploring Dopamine Neurotransmitter and Silver Nanocluster (Ag <sub>n</sub> ; <i>n</i> = 4–20) Interactions: DFT Insights for Biomedical Applications
ACS Omega·2025Open Access
Accurate determination of the band gap energy of non-translucent semiconductor materials through the Tauc method: Theoretical framework, limitations, technical hints, and automated algorithms
Next Materials·2025· 2 citedOpen Access
Exploring the Interaction of Monoamine Neurotransmitters with Fullerene- like Gold Nanocage (Au 32 ): DFT and Molecular Docking Studies
2025Open Access
Is it possible to protect nitric oxide by the B36N36 structure?: An in-silico proposal
Computational and Theoretical Chemistry·2025· 2 cited
Boron-nitrogen fullerenes as electrocatalysts for nitrogen reduction: A computational study of affinity and reaction mechanism
iScience·2025· 5 citedOpen Access
Role of homonuclear B–B/N–N bonds in DNA nucleobases adsorption on boron nitride fullerenes: Biosensor and drug transport implications
Computational and Theoretical Chemistry·2025· 3 cited
B<sub>12</sub>N<sub>12</sub> structures (pristine, isomer and doped with carbon) for drug delivery: the case of the acetylsalicylic acid
Nano Express·2025· 10 citedOpen Access
Exploring tiopronin adsorption on pristine and Al/Ga-doped boron nitride nanoclusters: A DFT approach for enhanced drug delivery
Journal of Molecular Graphics and Modelling·2025· 5 cited
K@C 24-Li/Na: A Promising Material for Anodes and Sulfide Stabilization in Hybrid Batteries
SSRN Electronic Journal·2025Open Access
¿NANOMATERIALES DE NITRURO DE BORO CON ENLACES HOMONUCLEARES?
RD-ICUAP·2024
Computational analysis of bare and alkali metal-encapsulated Al12N12 nanocages for enhanced removal of fluoroquinolone antibiotics from wastewater
Journal of Molecular Liquids·2024· 3 cited
Quantum chemical insights into the adsorption performance of pristine and M-encapsulated (M = Li, Na, K) B12N12 nanocages toward ciprofloxacin, levofloxacin, moxifloxacin, delafloxacin and ofloxacin antibiotics
Diamond and Related Materials·2024· 16 cited
Boron-nitride nanostructures for the detection of harmful gases (CO, CO2, H2S, N2O, and SO2)
Computational and Theoretical Chemistry·2024· 24 cited
A DFT study on the potential application of metal-encapsulated B12N12 nanocage for efficient removal of gemifloxacin in aqueous medium
Computational and Theoretical Chemistry·2024· 31 cited
Retention of lithium atoms by A@C<sub>20</sub> (A = Li, Na and K) metallofullerenes: possible anodes for batteries?
New Journal of Chemistry·2024· 2 cited
Structural and Physicochemical Properties of Carbon Doped Boron Nitride Fullerenes: Effect of Doping Level and Atomic Arrangement
Advanced Theory and Simulations·2023· 14 cited
Effect of the homonuclear bonds in the lithium retention by 0D boron nitride structures
Inorganic Chemistry Communications·2023· 6 cited
Understanding of the Effect of the Adsorption of Atom and Cluster Silver on Chitosan: An In Silico Analysis
Molecules·2023· 1 citedOpen Access
Effect of global charge on stability and electronic properties of B36N36 cage and isomers
Physica E Low-dimensional Systems and Nanostructures·2023· 4 cited
LA TECNOLOGÍA Y SUS APLICACIONES EN LA VIDA
RD-ICUAP·2023Open Access
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Frequent Co-authors

M. Salazar Villanueva(12), Ehsan Shakerzadeh(11), A. Escobedo-Morales(10), H. Hernández‐Cocoletzi(9), Gregorio H. Cocoletzi(9), A. Bautista Hernández(6), Miguel Castro(6), Diego Cortés‐Arriagada(5), A. Rodríguez Juárez(5), J. F. Sánchez‐Ramírez(4), Luz Palomino‐Asencio(4), Erwin García‐Hernández(4), L. Tepech-Carrillo(3), Gloria Cárdenas‐Jirón(3), Miguel Castro(2), María Corazón Flores Bautista(2), J. H. Camacho-García(2), Jose Mario Galicia Hernández(2), Aref Gholami(2), Ricardo Pino‐Rios(2)