RESEARCHER PROFILE

Gregorio H. Cocoletzi

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Benemérita Universidad Autónoma de Puebla

2D Materials and ApplicationsSurface and Thin Film PhenomenaGraphene research and applicationsAdvanced Chemical Physics StudiesSemiconductor materials and interfaces

Gregorio H. Cocoletzi works in 2D Materials and Applications, Surface and Thin Film Phenomena, Graphene research and applications, Advanced Chemical Physics Studies, Semiconductor materials and interfaces. Recorded institutional associations include National Institute of Astrophysics, Optics and Electronics, Benemérita Universidad Autónoma de Puebla.

254Publications
2,398Citations
26H-index

Inclusion identifies researchers whose recorded research contributions may inform their university’s understanding of its research community. It does not rank individual research quality or establish current employment.

Selected research works

Up to 100 highly cited works; DOI links open the original research. Counts reflect the collected record, not real-time citation totals.

  1. A comprehensive investigation on electronic structure, optical and thermoelectric properties of the HfSSe Janus monolayer

    2020 · 68 citations
  2. GGA-based analysis of the metformin adsorption on BN nanotubes

    2013 · 62 citations
  3. A DFT investigation: High-capacity hydrogen storage in metal-decorated doped germanene

    2023 · 59 citations
  4. Transition from indirect to direct band gap in SiC monolayer by chemical functionalization: A first principles study

    2019 · 54 citations
  5. Studies of hydrogen sulfide and ammonia adsorption on P- and Si-doped graphene: density functional theory calculations

    2019 · 53 citations
  6. DFT studies of the phenol adsorption on boron nitride sheets

    2011 · 52 citations
  7. Structural, electronic and optical properties of pristine and functionalized MgO monolayers: a first principles study

    2020 · 44 citations
  8. Structural and magnetic phase transitions in chromium nitride thin films grown by rf nitrogen plasma molecular beam epitaxy

    2017 · 43 citations
  9. Density functional theory calculations of biomolecules adsorption on phosphorene for biomedical applications

    2017 · 41 citations
  10. Additional Boundary Conditions: Critical Comparison between Theory and Experiment

    1982 · 40 citations
  11. Structural, electronic, magnetic and optical properties of CaO induced by oxygen incorporation effects: A first-principles study

    2021 · 40 citations
  12. Opening the germanene monolayer band gap using halogen atoms: An efficient approach studied by first-principles calculations

    2021 · 40 citations
  13. First principles studies of the graphene-phenol interactions

    2012 · 39 citations
  14. Density functional study of the structural properties of silver halides: LDA vs GGA calculations

    2007 · 38 citations
  15. Trapping and diffusion of organic dyes inside of palygorskite clay: The ancient Maya Blue pigment

    2017 · 37 citations
  16. Reducing the electronic band gap of BN monolayer by coexistence of P(As)-doping and external electric field

    2019 · 37 citations
  17. Mn2CoX (X = P and As) full-Heusler compounds for spintronic applications: Half-metallicity and elastic properties

    2020 · 36 citations
  18. Theoretical analysis of the HfS 2 monolayer electronic structure and optical properties under vertical strain effects

    2020 · 34 citations
  19. Defective and doped MgO monolayer as promising 2D materials for optoelectronic and spintronic applications

    2022 · 34 citations
  20. Detection of paracetamol by armchair BN nanotubes: a molecular study

    2013 · 31 citations
  21. First-principles simulations of the chemical functionalization of (5,5) boron nitride nanotubes

    2013 · 31 citations
  22. Armchair BN nanotubes—levothyroxine interactions: a molecular study

    2013 · 31 citations
  23. Structural, electronic, and magnetic properties of the CrN (0 0 1) surface: First-principles studies

    2018 · 29 citations
  24. Structural and electronic properties of chemically functionalized SnC monolayer: a first principles study

    2019 · 28 citations
  25. Influence of point defects on the electronic properties of boron nitride nanosheets

    2011 · 26 citations

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