Atomic layer reversal on CeO2 (100) surface
Sign Up to like & getrecommendations! Published in 2017 at "Science China Materials"
DOI: 10.1007/s40843-017-9082-1
Abstract: The structure and properties of CeO2 surfaces have been intensively studied due to their importance in a lot of surface-related applications. Since most of surface techniques probe the structure information inside the outermost surface plane,… read more here.
Keywords: atomic layer; surface; ceo2 100; structure ... See more keywords
Toward improving CO 2 dissociation and conversion to methanol via CO-hydrogenation on Cu(100) surface by introducing embedded Co nanoclusters as promoters: A DFT study
Sign Up to like & getrecommendations! Published in 2018 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2017.08.107
Abstract: Abstract The dissociation and hydrogenation of CO 2 on Cu(100) surfaces that are modified by introducing Co nanoclusters with different size into the top layer have been investigated using density functional theory method. Our results… read more here.
Keywords: dissociation; hydrogenation; surface; hydrogenation 100 ... See more keywords
Atomic surface control of Ge(100) in MOCVD reactors coated with (Ga)As residuals
Sign Up to like & getrecommendations! Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2021.150513
Abstract: Abstract Heteroepitaxy of planar, low-defect III-V semiconductor layers on Ge(100) requires a single-domain substrate surface, where dimer rows are aligned in parallel on atomically well-ordered terraces, which are separated by steps of even numbered atomic… read more here.
Keywords: control; surface; spectroscopy; 100 surface ... See more keywords
Theoretical study of Sn adsorbed on the MgO(100) surface with defects
Sign Up to like & getrecommendations! Published in 2018 at "Comptes Rendus Chimie"
DOI: 10.1016/j.crci.2018.03.005
Abstract: Abstract In this study, the adsorption of Sn atom at various sites on the MgO(100) surface was characterized using a theoretical approach based on density functional theory calculations. Both regular adsorption centers (O2− and Mg2+)… read more here.
Keywords: theoretical study; mgo 100; surface; study adsorbed ... See more keywords
Theoretical investigation on the dehydrogenation mechanism of CH3OH on Cu (100) surface
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2016.12.220
Abstract: Abstract Periodic DFT calculations have been employed to investigate the adsorption and dissociation mechanism of CH 3 OH on Cu (100) surface. For the adsorption, all possible adsorption configurations of relevant intermediates are identified. It… read more here.
Keywords: mechanism; surface; investigation dehydrogenation; theoretical investigation ... See more keywords
A first principles kinetic Monte Carlo investigation of the adsorption and mobility of gadolinium on the (100) surface of tungsten
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Nuclear Materials"
DOI: 10.1016/j.jnucmat.2017.02.040
Abstract: Abstract An accurate characterization of lanthanide adsorption and mobility on tungsten surfaces is important for pyroprocessing. In the present study, the adsorption and diffusion of gadolinium on the (100) surface of tungsten was investigated. It… read more here.
Keywords: gadolinium 100; adsorption; surface; adsorption mobility ... See more keywords
Tuning hydrogen dissociation behavior of magnesium borohydride (100) surface by transition metal and nonmetal co-substitution
Sign Up to like & getrecommendations! Published in 2018 at "Materials today communications"
DOI: 10.1016/j.mtcomm.2018.03.013
Abstract: Abstract The influences of transition metal Ni and nonmetal N co-substitution for partial metal Mg and nonmetal B elements on the hydrogen dissociation behavior of Mg(BH4)2 (100) surface are investigated using the first-principles calculations in… read more here.
Keywords: substitution; metal nonmetal; 100 surface; hydrogen dissociation ... See more keywords
Optoelectronic properties of GaAs nanowire on the (100) surface adsorbed gas molecules: First-principles study
Sign Up to like & getrecommendations! Published in 2019 at "Physica B: Condensed Matter"
DOI: 10.1016/j.physb.2019.07.003
Abstract: Abstract The adsorption of three gases on the wurtzite GaAs nanowires (100) surface are systematically studied via first principles. The optoelectronic properties of GaAs nanowires absorbed by CH 4 , H 2 and H 2… read more here.
Keywords: gas; surface; first principles; adsorption ... See more keywords
The effect of oxygen vacancies on the stability, electronic and optical properties of the ZnAl 2 O 4 (100) surface; A first-principles study
Sign Up to like & getrecommendations! Published in 2018 at "Surface Science"
DOI: 10.1016/j.susc.2017.12.006
Abstract: Abstract The effect of oxygen vacancy formation on the stability, structural, electronic, and optical properties of the ZnAl2O4(100) surface was investigated by using the first-principles method. The obtained results show that, in the case of… read more here.
Keywords: surface; electronic optical; optical properties; effect oxygen ... See more keywords
Anisotropic alloying: Formation of atomic scale trellis on the Si(100)-(2 × 1) surface
Sign Up to like & getrecommendations! Published in 2018 at "Surface Science"
DOI: 10.1016/j.susc.2018.05.010
Abstract: Abstract Early stages of growth of two-dimensional bimetallic Ag–In islands on the Si(100)-(2 × 1) surface were studied by means of scanning tunneling microscopy. Mixing the two different metals, one forms 1D chains on the Si(100)-(2 × 1) surface… read more here.
Keywords: formation atomic; alloying formation; surface; 100 surface ... See more keywords
Label-Free Optical Imaging of the Dynamic Stick-Slip and Migration of Single Sub-100-nm Surface Nanobubbles: A Superlocalization Approach.
Sign Up to like & getrecommendations! Published in 2019 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.9b00022
Abstract: The past decade has witnessed theoretical and experimental debates on the extraordinary long lifetime and low contact angle of surface nanobubbles. While several kinds of imaging techniques have provided promising evidence on the lifetime and… read more here.
Keywords: surface nanobubbles; microscopy; surface; sub 100 ... See more keywords