Effect of vacancy defect on optoelectronic properties of monolayer tungsten diselenide
Sign Up to like & getrecommendations! Published in 2017 at "Optical and Quantum Electronics"
DOI: 10.1007/s11082-017-1266-2
Abstract: Optoelectronic properties of pristine and vacancy defect monolayer tungsten diselenide (WSe2) have been investigated by the first principles calculations. The results predicate that Se defect monolayer WSe2 is direct semiconductor whereas the W defect monolayer… read more here.
Keywords: vacancy defect; monolayer; optoelectronic properties; defect monolayer ... See more keywords
Helical dislocations: Observation of vacancy defect bias of screw dislocations in neutron irradiated Fe–9Cr
Sign Up to like & getrecommendations! Published in 2019 at "Acta Materialia"
DOI: 10.1016/j.actamat.2019.09.031
Abstract: Abstract We have analysed the microstructure of a model alloy of Fe9Cr irradiated with neutrons to a dose of 1.6 dpa at 325 °C. Helical dislocations comprise a major part of the damage; these formed from… read more here.
Keywords: helical dislocations; vacancy defect; dislocations observation; screw dislocations ... See more keywords
First-principles study of Xe-vacancy defect clusters in UC
Sign Up to like & getrecommendations! Published in 2021 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2021.110365
Abstract: Abstract The formation and binding energetics that control the nucleation behavior of Xe-vacancy defect clusters in uranium monocarbide (UC) is investigated via density functional theory (DFT) calculations. Based on previous work, assumptions on the effective… read more here.
Keywords: principles study; first principles; vacancy defect; vacancy ... See more keywords
Boosting pseudocapacitive energy storage performance via both phosphorus vacancy defect and charge injection technique over the CoP electrode
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2020.158106
Abstract: Abstract It is an indisputable fact that electrochemical performance is always ameliorated by introducing proper phosphorus vacancy defect into electrode materials. In this work, the lattice-like CoP grown on the nickel foam with appropriate concentration… read more here.
Keywords: vacancy defect; energy; energy storage; phosphorus vacancy ... See more keywords
Vacancy defect influence on nanofluid flow and absorbed thermal energy in a nanochannel affected by Universal Force Field via composed approach of embedded atom model/molecular dynamics method
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2021.115927
Abstract: Abstract Vacancy defect influence on the physical manner of Ar-Al nanofluid inside a nanochannel is described. All Molecular Dynamics (MD) simulations are performed by using Large Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). The Universal Force… read more here.
Keywords: universal force; vacancy defect; molecular dynamics; vacancy ... See more keywords
Synergic effect of oxygen vacancy defect and shape on the photocatalytic performance of nanostructured TiO2 coating
Sign Up to like & getrecommendations! Published in 2020 at "Polyhedron"
DOI: 10.1016/j.poly.2019.114214
Abstract: Abstract In the present work TiO2 coatings with different level of oxygen vacancy defect and different shapes of nanosphere, nanocube, and nanopyramid were deposited on glass substrate by modified ultrasonic spray pyrolysis method. The prepared… read more here.
Keywords: shape; oxygen vacancy; tio2 coating; vacancy defect ... See more keywords
Simple Structural Descriptor Obtained from Symbolic Classification for Predicting the Oxygen Vacancy Defect Formation of Perovskites.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.1c24003
Abstract: Symbolic classification is an approach of interpretable machine learning for building mathematical formulas that fit certain data sets. In this work, symbolic classification is used to establish the relationship between oxygen vacancy defect formation energy… read more here.
Keywords: oxygen vacancy; symbolic classification; vacancy defect; classification ... See more keywords
Thermal Conductivity of Defective Graphene Oxide: A Molecular Dynamic Study
Sign Up to like & getrecommendations! Published in 2019 at "Molecules"
DOI: 10.3390/molecules24061103
Abstract: In this paper, the thermal properties of graphene oxide (GO) with vacancy defects were studied using a non-equilibrium molecular dynamics method. The results showed that the thermal conductivity of GO increases with the model length.… read more here.
Keywords: graphene oxide; vacancy defect; thermal conductivity; conductivity ... See more keywords
Efficient Oxygen Vacancy Defect Engineering for Enhancing Visible-Light Photocatalytic Performance over SnO2−x Ultrafine Nanocrystals
Sign Up to like & getrecommendations! Published in 2022 at "Nanomaterials"
DOI: 10.3390/nano12193342
Abstract: Regardless of its good electron-transfer ability and chemical stability, pure Zn2SnO4 (ZSO) still has intrinsic deficiencies of a narrow spectral response region, poor absorption ability, and high photo-activated carrier recombination rate. Aiming to overcome the… read more here.
Keywords: vacancy defect; oxygen vacancy; defect engineering; oxygen ... See more keywords