A comparative DFT study on the dehydrogenation of methanol on Rh(100) and Rh(110)
Sign Up to like & getrecommendations! Published in 2018 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2017.12.040
Abstract: Abstract Numerous density functional theory calculations have been performed to investigate the complete mechanisms of methanol dehydrogenation on Rh(100) and Rh(110) surfaces. The adsorption properties of relevant species were discussed in details. In addition, a… read more here.
Keywords: comparative dft; dehydrogenation; 110 surfaces; 100 110 ... See more keywords
Nanoindentation of ZrH2 by molecular dynamics simulation
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Nuclear Materials"
DOI: 10.1016/j.jnucmat.2020.152391
Abstract: Abstract Classical molecular dynamics simulations of nanoindentation on the (100) and (110) planes using a spherical indenter are performed to investigate the deformation behavior of δ -ZrH2. The Charged Optimized Many Body (COMB) potential is… read more here.
Keywords: molecular dynamics; nanoindentation 100; 100 110; nanoindentation zrh2 ... See more keywords
Metal work function engineering on epitaxial (100)Ge and (110)Ge metal-oxide-semiconductor devices
Sign Up to like & getrecommendations! Published in 2018 at "Microelectronic Engineering"
DOI: 10.1016/j.mee.2018.07.018
Abstract: Abstract Capacitance-voltage characterization of epitaxial n-type (100)Ge and (110)Ge metal-oxide-semiconductor capacitors (MOS Cs) was performed using two work function Al and Pt gate metals to evaluate the orientation effect on flat-band voltage (VFB) shift, Fermi… read more here.
Keywords: metal; 100 110; work function; epitaxial 100 ... See more keywords
Influence of slip system combination models on crystal plasticity finite element simulation of NiTi shape memory alloy undergoing uniaxial compression
Sign Up to like & getrecommendations! Published in 2017 at "Progress in Natural Science: Materials International"
DOI: 10.1016/j.pnsc.2017.08.017
Abstract: Abstract The influence of various slip system combination models on crystal plasticity finite element simulation of NiTi shape memory alloy subjected to uniaxial compression deformation is investigated according to three combinations of slip systems, including… read more here.
Keywords: combination; slip; 110 111; slip modes ... See more keywords
A theoretical approach of the ethanol adsorption on Au(100), Au(110) and Au(111) surfaces
Sign Up to like & getrecommendations! Published in 2019 at "Surface Science"
DOI: 10.1016/j.susc.2019.121458
Abstract: Abstract The adsorption of ethanol on Au(100), Au(110) and Au(111) surfaces was studied using electronic structure calculations under the scheme of the density functional theory (DFT) with van der Waals corrections, vdW-DF2 and PBE functionals,… read more here.
Keywords: 100 110; basis set; adsorption; 111 surfaces ... See more keywords
Single-crystal growth of iridium with [100] and [110] orientations by electron beam zone melting
Sign Up to like & getrecommendations! Published in 2018 at "Vacuum"
DOI: 10.1016/j.vacuum.2018.05.009
Abstract: Abstract Single crystal of iridium with two different orientations, [100] and [110] has been successfully prepared by electron-beam floating zone melting (EBFZM). The experimental results showed that the iridium single crystal with [100] orientation could… read more here.
Keywords: iridium; single crystal; 100 110; zone melting ... See more keywords
Uneven Oxidation and Surface Reconstructions on Stepped Cu(100) and Cu(110).
Sign Up to like & getrecommendations! Published in 2022 at "Nano letters"
DOI: 10.1021/acs.nanolett.1c04124
Abstract: How defects such as surface steps affect oxidation, especially initial oxide formation, is critical for nano-oxide applications in catalysis, electronics, and corrosion. We posit that surface reconstruction, a crucial intermediate oxidation step, can highlight initial… read more here.
Keywords: oxidation; oxidation surface; 100 110; surface ... See more keywords
Fabrication of SrGe2 thin films on Ge (100), (110), and (111) substrates
Sign Up to like & getrecommendations! Published in 2018 at "Nanoscale Research Letters"
DOI: 10.1186/s11671-018-2437-1
Abstract: Semiconductor strontium digermanide (SrGe2) has a large absorption coefficient in the near-infrared light region and is expected to be useful for multijunction solar cells. This study firstly demonstrates the formation of SrGe2 thin films via… read more here.
Keywords: thin films; 110 111; films 100; 100 110 ... See more keywords