Zobrazeno 1 - 10
of 28
pro vyhledávání: '"Frank Maldonado"'
Publikováno v:
AIP Advances, Vol 6, Iss 11, Pp 115217-115217-6 (2016)
We propose an explanation for the origin of n-type electrical conductivity in SnO2 based on the results obtained from the DFT+U simulations. Two competitive intrinsic point defects, namely oxygen vacancy and hydrogen impurity, have been considered at
Externí odkaz:
https://doaj.org/article/8213e39f701643e7959c7d13bebcdcf9
Publikováno v:
The Journal of Physical Chemistry C. 123:12296-12304
In this work, a study of the molecular adsorption and geometry of phenol on the nonpolar (1010) ZnO surface has been carried out. In an attempt to reproduce a more realistic system, an oxygen vacancy has been introduced in the surface, which leads to
Publikováno v:
Applied Surface Science. 456:276-289
The Density Functional Theory (DFT) within the Generalized Gradient Approximation (GGA) approach and van der Waals (vdW) corrections have been used to study the molecular adsorption of ethanol over the BaTiO3 (0 0 1) surface. Two kinds of surfaces ha
Autor:
Frank Maldonado, Arvids Stashans
Publikováno v:
Journal of Physics and Chemistry of Solids. 102:136-141
Density functional theory and generalized gradient approximation including a Hubbard-like term was used in the present work to analyse structure as well as electronic and electrical properties of Ag and La codoped BaTiO 3 material. Intrinsic oxygen v
Publikováno v:
Repositorio Universidad Técnica Particular de Loja
Universidad Técnica Particular de Loja
instacron:UTPL
Universidad Técnica Particular de Loja
instacron:UTPL
Spin-polarized density functional theory (DFT) computations have been carried out to investigate Cr-, B-doping as well as codoping in the SrTiO3 crystal. Impact of the oxygen vacancy as an intrinsic point defect has been also taken into consideration
Autor:
Talia Tene, Carlos Tapia, Lorenzo S. Caputi, Stefano Bellucci, Frank Maldonado, Antonino Cataldo, Gabriela Tubon Usca, Marco Guevara, Luis Villamagua, Cristian Vacacela Gomez
Publikováno v:
Applied Surface Science. 546:149046
Graphene is the most attractive 2D nanomaterial with interesting applications from smart coating to high frequency electronics. Its production through liquid exfoliation of graphite in suitable solvents is the most practical approach to prepare graph
Autor:
Frank Maldonado, Luis Villamagua, Carlos Tapia, Manuela Carini, Richard Rivera, Jessica Cuesta
Publikováno v:
Physica Scripta. 96:015803
Autor:
Arvids Stashans, Frank Maldonado
Publikováno v:
Repositorio Universidad Técnica Particular de Loja
Universidad Técnica Particular de Loja
instacron:UTPL
Universidad Técnica Particular de Loja
instacron:UTPL
Density functional theory has been used to predict properties of hydrogen sulphide, H2S, adsorption on the ?-Cr2O3 (0001) surface. Five energetically most favourable adsorption configurations have been selected for the study. Our work reveals adsorpt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0478bd7c1264446e7d27be0d2087e713
http://dspace.utpl.edu.ec/handle/123456789/18884
http://dspace.utpl.edu.ec/handle/123456789/18884
Publikováno v:
Repositorio Universidad Técnica Particular de Loja
Universidad Técnica Particular de Loja
instacron:UTPL
Universidad Técnica Particular de Loja
instacron:UTPL
First-principles computations based on the density functional theory within the generalised gradient approximation and introduced intra-atomic interaction term for strongly correlated electrons (DFT + U method) has been used in this work. Ti impurity
Publikováno v:
Additional Conferences (Device Packaging, HiTEC, HiTEN, and CICMT). 2011:000134-000138
This paper describes an implementation strategy used to develop a high temperature power controller. The system is based on using high-temperature (HT) silicon-on-insulator (SOI) technology with silicon carbide (SiC) based integrated circuits (ICs) t