Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Yung-Ting Lee"'
Autor:
Yung-Ting Lee, 李泳霆
102
Density functional theory (DFT)-based molecular dynamic simulation in combination with localized basis sets and pseudopotentails is used to investigate the dynamic behaviors of molecules adsorption onto Si(001) surface. In particular, both s
Density functional theory (DFT)-based molecular dynamic simulation in combination with localized basis sets and pseudopotentails is used to investigate the dynamic behaviors of molecules adsorption onto Si(001) surface. In particular, both s
Externí odkaz:
http://ndltd.ncl.edu.tw/handle/45859891471971621886
Autor:
Yung-Ting Lee, 李咏庭
100
Both impaired emotion regulation and difficulties inhibiting negative material have been found to be associated with depression (Joormann & Goltib, 2010). Therefore, the aim of the current research was to investigate how the interplay of emo
Both impaired emotion regulation and difficulties inhibiting negative material have been found to be associated with depression (Joormann & Goltib, 2010). Therefore, the aim of the current research was to investigate how the interplay of emo
Externí odkaz:
http://ndltd.ncl.edu.tw/handle/05973436835690582549
Autor:
Yung-Ting Lee, 李泳霆
95
Density Functional Theory with ultrasoft pseudopotential, plane wave basis sets and supercell models were used to simulate the dissociative adsorption of tert-Butylacetylacetate and ethanol onto Si(100) surface and Pd(111) surface, respective
Density Functional Theory with ultrasoft pseudopotential, plane wave basis sets and supercell models were used to simulate the dissociative adsorption of tert-Butylacetylacetate and ethanol onto Si(100) surface and Pd(111) surface, respective
Externí odkaz:
http://ndltd.ncl.edu.tw/handle/31813386852276756710
Publikováno v:
Materials Advances. 2:4392-4413
Using high-throughput calculations based on the density functional theory, we construct a structure map for AB2 type monolayers of 3844 compounds which are all the combinations of 62 elements selected from the periodic table. The structure map and it
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a1c3e9f0b14d6bd13c09204717373bb4
https://doi.org/10.1039/d0ma00999g
https://doi.org/10.1039/d0ma00999g
Autor:
Chin-En Hsu, Yung-Ting Lee, Chieh-Chun Wang, Chang-Yu Lin, Yukiko Yamada-Takamura, Taisuke Ozaki, Chi-Cheng Lee
Silicon and germanium are the well-known materials used to manufacture electronic devices for the integrated circuits but they themselves are not considered as promising options for interconnecting the devices due to their semiconducting nature. We h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::304957ffe26b8709a010da70fa5c7d8c
Publikováno v:
Physical Review B. 102
A method to analyze optical transitions is developed by combining the Kubo-Greenwood formula with the unfolding method to construct an unfolded electronic band structure with optical transition weights, which allows us to investigate how optical tran
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a45e34bdd899c05eac40b567fb5588c1
https://doi.org/10.1103/physrevb.102.075143
https://doi.org/10.1103/physrevb.102.075143
Publikováno v:
Impact. 2018:69-71
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::87587b55a33ca9b474c8f9f06bcb0b54
https://doi.org/10.21820/23987073.2018.11.69
https://doi.org/10.21820/23987073.2018.11.69
Autor:
Yung-Ting Lee, Taisuke Ozaki
The OpenMX Viewer (Open source package for Material eXplorer Viewer) is a web-based graphical user interface (GUI) program for visualization and analysis of crystalline and molecular structures and 3D grid data in the Gaussian cube format such as ele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3dfdf95bf9668e7bc5396fef2be9f10e
Publikováno v:
Research on Chemical Intermediates. 43:3613-3620
Optimized geometries and electronic structures of three different symmetry shapes of nanosheet graphenes with armchair and zig-zag edges were generated by using the generalized gradient approximation/Perdew–Burke–Ernzerhof (GGA/PBE) method of den
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c577494d363848bbd25a83917acb8d6
https://doi.org/10.1007/s11164-016-2435-9
https://doi.org/10.1007/s11164-016-2435-9
Autor:
Jyh Shing Lin, Yung-Ting Lee
Publikováno v:
RSC Advances. 6:1491-1502
The thermally-induced reaction and vibration dynamics of methanol (CH3OH(g)) dissociative adsorption onto a Si(001) surface have been studied by combining density functional theory (DFT)-based molecular dynamics (DFTMD) simulations with a molecular a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cb9b7e4ccac881aff67a2fa4025c340e
https://doi.org/10.1039/c5ra22759c
https://doi.org/10.1039/c5ra22759c