Surface-assisted cis–trans isomerization of an alkene molecule on Cu(110)

2014 ◽  
Vol 50 (14) ◽  
pp. 1728-1730 ◽  
Author(s):  
Qiang Sun ◽  
Chi Zhang ◽  
Likun Wang ◽  
Zhiwen Li ◽  
Aiguo Hu ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Room Temperature ◽  
Ultrahigh Vacuum ◽  
Trans Isomerization ◽  
Isomerization Process

Interplay of STM imaging and DFT calculations demonstrates the isomerization of an alkene molecule on Cu(110) under ultrahigh vacuum conditions. We show that the on-surfacecis–transisomerization could efficiently occur well below room temperature, in which the surface is speculated to play a key role in assisting this isomerization process.

Atomistic prediction on the configuration- and temperature-dependent dielectric constant of Be0.25Mg0.75O superlattice as a high-κ dielectric layer

2021 ◽  
Author(s):  
Gyuseung Han ◽  
In Won Yeu ◽  
Kun Hee Ye ◽  
Seung-Cheol Lee ◽  
Cheol Seong Hwang ◽  
...  
Keyword(s):  
Dielectric Constant ◽  
Dft Calculations ◽  
Bond Length ◽  
Dielectric Layer ◽  
Room Temperature ◽  
High Dielectric Constant ◽  
Temperature Dependent ◽  
High Dielectric

Through DFT calculations, a Be0.25Mg0.75O superlattice having long apical Be–O bond length is proposed to have a high bandgap (>7.3 eV) and high dielectric constant (∼18) at room temperature and above.

On the existence of a stable, room temperature dihydride-terminated Ge(100) surface in ultrahigh vacuum

2008 ◽  
Vol 602 (12) ◽  
pp. 2055-2060 ◽  
Author(s):  
Grant Underwood ◽  
Lynette Keller Ballast ◽  
Alan Campion
Keyword(s):  
Room Temperature ◽  
Ultrahigh Vacuum

scholarly journals Investigations on non-classical silylium ions leading to a cyclobutenyl cation

2019 ◽  
Vol 10 (9) ◽  
pp. 2821-2829 ◽  
Author(s):  
Arthur Martens ◽  
Marvin Kreuzer ◽  
Alexander Ripp ◽  
Marius Schneider ◽  
Daniel Himmel ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Room Temperature ◽  
The Way

The formation of simple non-classical silylium ions from [Me3Si]+ sources and alkenes or alkynes was investigated, but mainly oligomerization was observed. Yet, the reaction with MeCCMe led to a room temperature stable cyclobutenyl cation. DFT calculations suggest that a non-classical silylium ion intermediate was formed on the way to this product.

scholarly journals ON/OFF Photostimulation of Isatin Bipyridyl Hydrazones: Photochemical and Spectral Study

Molecules ◽  
2019 ◽  
Vol 24 (14) ◽  
pp. 2668 ◽  
Author(s):  
Róbert Šandrik ◽  
Pavol Tisovský ◽  
Klaudia Csicsai ◽  
Jana Donovalová ◽  
Martin Gáplovský ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Spectral Study ◽  
Photochemical Reaction ◽  
Room Temperature ◽  
High Thermal Stability ◽  
Light Stimulation ◽  
Fluoride Ions ◽  
Isomerization Process

Four novel isatin hydrazones containing bipyridyl fragments were synthesized as potential ON/OFF switches. Hydrazone Z-isomers exhibit high thermal stability. The characteristic photochemical reaction for all studied hydrazones is the Z–E isomerization in CHCl3. After irradiation of hydrazones 1 and 2 in dimethylformamide (DMF), the photoreaction products are tautomers. When using light with the appropriate wavelength, the photo-tautomerization reaction is reversible. In these conditions, studied hydrazones have ON/OFF switch properties. In the case of hydrazones 1 and 2, by alternating heat and light stimulation it is possible to control the isomerization process reversibly. In the presence of fluoride ions, NH hydrogen from the studied hydrazones is cleaved, and the corresponding anions are formed. The resulting anions of Z-isomers are changed to the corresponding E-isomer at room temperature.

STM Study of Initial Growth of Titanium Silicide on Si(III)

1996 ◽  
Vol 466 ◽  
Author(s):  
H. Kuriyama ◽  
S. Ohara ◽  
K. Ezoe ◽  
T. Yamamoto ◽  
S. Tatsukawa ◽  
...  
Keyword(s):  
Scanning Tunneling Microscopy ◽  
Room Temperature ◽  
Ultrahigh Vacuum ◽  
Titanium Silicide ◽  
Scanning Tunneling ◽  
Initial Growth ◽  
Tunneling Microscopy

ABSTRACTThe nucleation and initial growth of titanium suicide on Si(111)7×7 surface has been studied using the scanning tunneling microscopy(STM) in ultrahigh vacuum. At room temperature Ti atoms react with Si atoms and preferentially adsorb on faulted half of the 7×7 surface. By annealing at 600°C, islandlike structures(amorphous titanium suicide) and striplike structures(crystalline titanium suicide) are formed. Annealing at 700°C drives the growth of striplike structures from islandlike structures. The striplike structures grow parallel to specific directions on the 7×7 surface.

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