화학공학소재연구정보센터
검색결과 : 18건
No. Article
1 Initial stages of the epitaxial growth of MnN on the GaAs (001)-(2 x 2) surface: First-principle study
Ponce-Perez R, de la Cruz MTR, Gutierrez-Ojeda SJ, Guerrero-Sanchez J, Varalda J, Cocoletzi GH
Applied Surface Science, 489, 639, 2019
2 DFT study for OH radical formation on SrTiO3(001) surface and the effect of Bi
Garcia-Diaz R, de la Cruz MTR, Valiente RO, Guerrero-Sanchez J, Cocoletzi GH
Applied Surface Science, 487, 1394, 2019
3 Initial stages of the epitaxial growth of AlN on GaN (111)-(2 x 2) surface: Ab-initio studies
Moreno JC, Camacho-Garcia JH, Ponce-Perez R, Sanchez-Ochoa F, De la Cruz MTR, Cocoletzi GH
Journal of Crystal Growth, 507, 370, 2019
4 Density functional theory calculations of biomolecules adsorption on phosphorene for biomedical applications
Rubio-Pereda P, Cocoletzi GH
Applied Surface Science, 427, 1227, 2018
5 Chromium nanostructure formation on the GaAs(111)-(2 x 2) surface: First principles studies
Gutierrez-Ojeda SJ, Garcia-Diaz R, Sanchez-Ochoa F, Guerrero-Sanchez J, de la Garza LM, Varalda J, Mosca DH, Cocoletzi GH
Applied Surface Science, 455, 1078, 2018
6 Structural, electronic, and magnetic properties of the CrN (001) surface: First-principles studies
Ponce-Perez R, Alam K, Cocoletzi GH, Takeuchi N, Smith AR
Applied Surface Science, 454, 350, 2018
7 Dopamine and Caffeine Encapsulation within Boron Nitride (14,0) Nanotubes: Classical Molecular Dynamics and First Principles Calculations
Garcia-Toral D, Gonzalez-Melchor M, Rivas-Silva JF, Meneses-Juarez E, Cano-Ordaz J, Cocoletzi GH
Journal of Physical Chemistry B, 122(22), 5885, 2018
8 Structural, electronic and magnetic properties of the MnGa(111)-1 x 2 and 2 x 2 reconstructions: Spin polarized first principles total energy calculations
Garcia-Diaz R, Cocoletzi GH, Mandru AO, Wang KK, Smith AR, Takeuchi N
Applied Surface Science, 419, 286, 2017
9 Optical properties calculations of the phosphorene-CrO3 system within the G(0)W(0) and BSE approximations
Rubio-Pereda P, Galicia-Hernandez JM, Cocoletzi GH
Applied Surface Science, 416, 266, 2017
10 Understanding the stability of Fe incorporation within Mn3N2(001) surfaces: An ab-initio study
Guerrero-Sanchez J, Mandru AO, Takeuchi N, Cocoletzi GH, Smith AR
Applied Surface Science, 363, 651, 2016