Instituto de Física
"Ing. Luis Rivera Terrazas"

Dr. Gregorio Hernández Cocoletzi

Investigador      SNI III
Física Computacional de la Materia Condensada
CU, Edificio IF3, Oficina 225
+52 (222) 229 55 00, Ext. 2026
gregorio.hernandez
cocoletz

Últimas Publicaciones

  1. Van On, V.; J.F. Rivasā€Silva; G. H. Cocoletz; Hoat, D. M.; Khanh Nguyen D.; Van Ngoc H. and Thang Tung N. First-principles calculations to investigate Structural, electronic, and optical properties of MgF2 monolayer in 1T-phase and 2H-phase using hybrid functional, Chemical Physics, v. 557, Elseiver, Pp. 1-8, 2022.
    DOI: 10.1016/j.chemphys.2022.111473
  2. García-Toral, D.; Mendoza-Báez, R.; Chigo-Anota, E.; Cocoletzi, G.H., Rivas-Silva, J.F. Vázquez-Báez, V. M. Flores-Riveros, A. Structural Stability and Electronic Properties of Boron Phosphide Nanotubes: A Density Functional Theory Perspective, Symmetry, v. 14(5), MDPI, Pp. 1-16, 2022.
    DOI: 10.3390/sym14050964
  3. Camacho-García, J.H.; Ruiz-Peralta, M.L.; Hernández-Cocoletzi G.; Moreno-Hernández, J.C. Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study, ADVANCES IN CONDENSED MATTER PHYSICS, vol. 2022, Number 1506702, Jan 30 2022.
    DOI: 10.1155/2022/1506702
  4. Hoang Van Ngoc, Nguyen Thanh Tung, Duy Khanh Nguyen, Vo Van On, J.F. Rivas-Silva, Gregorio Cocoletzi, DM Hoat. First-principles calculations to investigate Structural, electronic, and optical properties of MgF2 monolayer in 1T-phase and 2H-phase using hybrid functional, REVISTA CHEMICAL PHYSICS, vol. 557, pag. 111473 Editor North-Holland, 2022/5/1.
    DOI: 10.1016/j.chemphys.2022.111473
  5. V Van On, J. F. Rivas-Silva, G. H. Cocoletzi. First principles prediction of the stable MgFCl Janus monolayer with tunable properties, PHYSICA E: LOW-DIMENSIONAL SYSTEMS AND NANOSTRUCTURES, Volume 137, March 2022, Elsevier.
    DOI: 10.1016/j.physe.2021.115023
  6. J. F. Rivas-Silva, G. H. Cocoletzi. Ferromagnetic half-metallicity of the cubic NaMgO3 perovskite: from bulk to (001) surfaces, PHYSICAL CHEMISTRY, 24, 2022, pp.2209-2218.
    DOI: 10.1039/D1CP05086A
  7. H. N. Fernandez-Escamilla, G. H. Cocoletzi. Self-energy corrected band-gap tuning induced by strain in the hexagonal boron phosphide monolayer, COMPUTATIONAL MATERIALS SCIENCE, Volume 203, 15 February 2022, 111144 Elsevier.
    DOI: 10.1016/j.commatsci.2021.111144
  8. Martínez Olguín, A. C.; Ponce Pérez, R.; Morales de la Garza, Leonardo; Moreno Armenta, María G.; Cocoletzi, Gregorio H. Modeling the cobalt deposit on the AlN (0001)-(2 × 2) surface: Density functional theory studies, JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 549(9):169005, January 2022.
    DOI: 10.1016/j.jmmm.2021.169005
  9. Van On, V.; Guerrero Sanchez, J.; J. F. Rivas Silva, G.H. Cocoletzi; Hoat, D. M. First-principles investigation of the (HfSe2)(4-n)-(HfSSe)(n) (n=0, 1, 2, 3, 4) lateral heterostructures, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 122, MAR 2022.
    DOI: 10.1002/qua.26857
  10. Moreno, J . C.; Ponce Perez, R.; G. H. Cocoletzi; Takeuchi, N. Antiferromagnetic coupling in the initial stages of the MnN epitaxial growth on the CrN (001) surface, APPLIED SURFACE SCIENCE, 573, Jan 30 2022.
    DOI: 10.1016/j.apsusc.2021.151451
  11. Comparan Padilla Víctor Eduardo; Romero de la Cruz María Teresa; Avila Alvarado Yuliana Elizabeth; García Díaz Reyes; Rodríguez García Carlos Eduardo; Hernádez Cocoletzi Gregorio. Studies of hydrogen sulfide and ammonia adsorption on P- and Si-doped graphene: density functional theory calculations, JOURNAL OF MOLECULAR MODELING 25, 4, 94, 1-12, APR 2019.
    DOI: 10.1007/s00894-019-3974-y
  12. Ponce-Pérez R.; Cocoletzi-Hernández Gregorio; Takeuchi Noboru. Zig-zag boron nitride nanotubes functionalization with acetylene molecules: a density functional theory study, ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY 25, 1, 63-74, JAN 2019.
    DOI: 10.1007/s10450-018-9985-7
  13. Ríos-Ramírez J. J.; Rivas-Silva J. F.; Flores-Riveros A.; De La Pena-Seaman O.; Hernández-Cocoletzi G. Comparing two high correlation models to test the mechanical stability of americium-II, JOURNAL OF PHYSICS-CONDENSED MATTER 31, 8, 085601, 1-14, FEB 27 2019.
    DOI: 10.1088/1361-648X/aaf7ec
  14. J.E. Pérez-Rodríguez, M.A. Palomino-Ovando, and G.H. Cocoletzi, One-dimensional metamaterial photonic crystal with defects, a study of the surfaces modes, META´15 Conference Proceedings, The 6th International Conference on Metamaterials Photonic Crystal and Plasmonics, New York-USA, pp. 1429-1430 (2015).
    DOI:
  15. Yuliana Avila, Gregorio H. Cocoletzi, María Teresa Romero, First principles calculations of phenol adsorption on pristine and group III (B, Al, Ga) doped graphene layers, Journal of Molecular Modeling, 20 2112 (2014).
    DOI: 10.1007/s00894-014-2112-0
  16. E. Chigo Anota, A. Torres Soto, and Gregorio H. Cocoletzi, Studies of graphene-chitosan interactions and analysis of the bioadsorption of glucose and cholesterol, Appl. Nanosci, 4 2190-1066 (2014).
    DOI:
  17. E. Chigo Anota, Gregorio H. Cocoletzi, Influence of point defects on the structural and electronic properties of SiC nanotubes, Central European Journal of Chemistry, 12 (1) pages 53-59 (2014).
    DOI: 10.2478/s11532-013-0357-6
  18. H. Desirena, L.A. Díaz-Torres, R.A. Rodríguez, O. Meza, P. Salas, C. Angeles-Chávez, E.H. Tobar, J. C astañeda-Contreras, E. De la Rosa, Photoluminescence characterization of porous YAG: Yb3+; -Er3+; nanoparticles, Appl. Nanosci, 4 2190-1066 (2014).
    DOI: 10.1016/j.jlumin.2014.03.012
  19. Ernesto Chigo Anota, Gregorio H. Cocoletzi, GGA-based analysis of the metformin adsorption on BN nanotubes, Physica E, 56 134-140 (2014).
    DOI: 10.1016/j.physe.2013.08.033
  20. F. Sánchez-Ochoa, Gregorio H. Cocoletzi, Gabriel I. Canto, and Noboru Takeuchi, First-principles calculations of the indigo encapsulation and adsorption by MgO nanotubes, Journal of Applied Physics, 115 213507 (2014).
    DOI: 10.1063/1.4881455
  21. E. Chigo Anota, Gregorio H. Cocoletzi, J.F. Sánchez Ramírez, A. Bautista Hernández, Detection of paracetamol by armchair BN nanotubes: a molecular study, Structural Chemistry, 25 895-901 (2014).
    DOI: 10.1007/s11224-013-0357-3
  22. J. Guerrero-Sánchez, F. Sánchez-Ochoa, Gregorio H. Cocoletzi, J.F. Rivas-Silva, Noboru Takeuchi., Ab-initio studies of the Sc adsorption and the ScN thin film formation on the GaN (000-1)-(2 x 2) surface, Thin Solid Films, 548 317-322 (2013).
    DOI: 10.1016/j.tsf.2013.09.053
  23. E. Chigo Anota, A. Bautista Hernández, Miguel Castro, and Gregorio H. Cocoletzi., Density functional theory studies of the structural and electronic properties of germanium nanosheets, Journal of Computational and Theoretical Nanoscience, 10 No. 9 pp. 2264-2268 (2013).
    DOI: 10.1166/jctn.2013.3196
  24. E. Chigo-Anota, M. Castro, and Gregorio H. Cocoletzi, Theoretical investigation of the influence of point defects on the electronic properties of graphanol, Journal of Computational and Theoretical Nanoscience, 10 No. 3 pp. 624-628 (2013).
    DOI:
  25. 11. Ernesto Chigo Anota, Gregorio Hernández Cocoletzi, Electronic properties of functionalized (5,5) beryllium oxide nanotubes, Journal of Molecular Graphics and Modelling, 42 115-119 (2013).
    DOI: 10.1016/j.jmgm.2013.03.007
  26. E. Chigo Anota, Gregorio H. Cocoletzi, J.F. Sánchez Ramírez, Armchair BN nanotubes— levothyroxine interactions: a molecular study, Journal of Molecular Modelling, 19 Issue 11, pp. 4991-4996 (2013).
    DOI:
  27. E. Chigo Anota, A. Torres Soto, Gregorio H. Cocoletzi, Studies of graphene-chtosan interactions and analysis of the bioadsorption of glucose and cholesterol, Applied Sciences, (2013).
    DOI: 10.1007/s13204-013-0283-0
  28. Gregorio H. Cocoletzi, and Noboru Takeuchi, First principles calculations of the structural and electronic properties of zinc sulfide nanowire, Quantum Matter, 2 (5) 382-387 (2013).
    DOI: 10.1166/qm.2013.1068
  29. J. Guerrero-Sánchez, Gregorio H. Cocoletzi, J.F. Rivas-Silva, Noboru Takeuchi, Initial stages of the adsorption of Sc and ScN thin films on GaN(0 0 0 1): First principles calculations, Applied Surface Science, 268 16-21 (2013).
    DOI: 10.1016/j.apsusc.2012.11.094
  30. Francisco Sánchez-Ochoa, Jonathan Guerrero-Sánchez, Gabriel I. Canto, Gregorio H. Cocoletzi, and Noboru Takeuchi, Density functional theory studies of the adsorption of hydrogen sulfide on aluminum doped solicane, Journal of Molecular Modeling, 19 2925 (2013).
    DOI: 10.1007/s00894-013-1873-1
  31. Ernesto Chigo Anota, and Gregorio H. Cocoletzi, First-principles simulations of the chemical functionalization of (5,5) boron nitride nanotubes, Journal of Molecular Modeling, 19 2335 (2013).
    DOI: 10.1007/s00894-013-1782-3
  32. E. Chigo Anota, R. E. Ramírez Gutiérrez, A. Escobedo Morales , Gregorio H. Cocoletzi, Influence of point defects on the electronic properties of boron nitride nanosheets, Journal of Molecular Modeling, 18 2175-2184 (2012).
    DOI:
  33. José Mario Galicia Hernández, Gregorio Hernández Cocoletzi and Ernesto Chigo Anota, DFT studies of the phenol adsoption on boron nitride sheets, Journal of Molecular Modeling, 18 Issue 1, pp. 137-144 (2012).
    DOI:
  34. E. Chigo Anota, A. Bautista Hernández, M. Castro, Gregorio H. Cocoletzi, Investigating the Electronic Properties silicon nanosheets by first principles calculations, Journal of Molecular Modeling, 18 No. 5, 2147-52 (2012).
    DOI: 10.1007/s00894-011-1235-9
  35. M. González-Melchor, G. Hernández Cocoletzi, J. López-Lemus, A. Ortega-Rodríguez, P. Orea, Interfacial and coexistence properties of soft spheres with a short-range attractive Yukawa fluid: Molecular dynamics simulations, Journal of Chemical Physics, 136 (15): 154702 (2012).
    DOI:
  36. José M. Galicia Hernández, Ernesto Chigo Anota, María T. Romero de la Cruz, Minerva González Melchor & Gregorio Hernández Cocoletzi, First principles studies of the graphene-phenol interactions, Journal of Molecular Modeling, 18 No. 8 3857-3866 (2012).
    DOI:
  37. José M. Galicia Hernández, Ernesto Chigo Anota, María T. Romero de la Cruz, Minerva González-Melchor, and Gregorio Hernández Cocoletzi, First principles studies of the graphene-phenol interactions, Journal of Molecular Modeling, 18 3857 (2012).
    DOI: 10.1007/s00894-012-1382-7
  38. Ernesto Chigo Anota, Ramses E. Ramírez Gutiérrez, Alejandro Escobedo Morales, and Gregorio Hernández Cocoletzi, Influence of point defects on the electronic properties of boron nitride nanosheets, Journal of Molecular Modeling, 18 2175 (2012).
    DOI: 10.1007/s00894-011-1233-y
  39. Minerva González-Melchor, Gregorio Hernández-Cocoletzi, Jorge López-Lemus, Alejandro Ortega-Rodríguez, and Pedro Orea, Interfacial and coexistence properties of soft spheres with a short-range attractive Yukawa fluid: Molecular dynamics simulations, The Journal of Chemical Physics, 136 154702 (2012).
    DOI: 10.1063/1.3703507
  40. L. Palomino-Rojas, Reyes García-Díaz, Gregorio H. Cocoletzi, and Noboru Takeuchi, Ab-initio studies of the adsorption of a B ad-atom on GaN surfaces, Journal of Crystal Growth, 338 (1) 62-68 (2012).
    DOI: 10.1016/j.jcrysgro.2011.07.037
  41. José Mario Galicia Hernández, Gregorio Hernández Cocoletzi and Ernesto Chigo Anota, DFT studies of the phenol adsoption on boron nitride sheets, Journal of Molecular Modeling, 18 137 (2012).
    DOI: 10.1007/s00894-011-1046-z
  42. Cristina Nava Contreras, Heriberto Hernandez Cocoletzi, Ernesto Chigo Anota, Gregorio H. Cocoletzi., Theoretical study of the electronic properties of fluorographene, Journal of Molecular Modeling, 17 pag. 2093–2097 (2011) 0948-5023 (electronic).
    DOI:
  43. A. Gallegos, J.C. Azorín, R. Licona, F. Rivas Silva, G. Hernández-Cocoletzi, T. Rivera, N. Khaudikov, Thermo-transferred thermolunescence (TTTL) in potassium-yttrium double fluoride doped with terbium, Revista Mexicana de Física S, 57 (1) 65-68 (2011).
    DOI:
  44. A. Gallegos, J. Azorín, J.C. Azorín, R. Licona, F. Rivas, G. Hernández-Cocoletzi, T. Rivera, N. Khaidukov, Thermo-transferred thermoluminescence (TTTL) in potassium-yttrium double fluoride doped with terbium, Revista Mexicana de Física S, 57 (1) 65-68 (2011).
    DOI:

Estudiantes graduados

Doctorado

Aracely del Carmen Martínez Olguín
Carlos Antonio Corona García
Sandra Julieta Gutiérrez Ojeda
Rodrigo Ponce Pérez
José Mario Galicia Hernández

Maestría

Shanyin Danae Reyes García




Benemérita Universidad Autónoma de Puebla
4 sur 104 Centro Histórico C.P. 72000
Teléfono +52(222) 2295500
Instituto de Física "Ing. Luis Rivera Terrazas"
Av. San Claudio y Blvd. 18 Sur, Col. San Manuel
Edificios IF1, IF2, IF3 y EMA1, Ciudad Universitaria,
C.P. 72570, Puebla, Pue.
Tel.: (52 222) 229 55 00, Ext. 1720, 1725 y 5610.