scholarly journals Evidence for hydrogen transport in deuteratedLiBH4from low-temperature Raman-scattering measurements and first-principles calculations

2009 ◽  
Vol 80 (10) ◽  
Author(s):  
R. Gremaud ◽  
Z. Łodziana ◽  
P. Hug ◽  
B. Willenberg ◽  
A.-M. Racu ◽  
...  
Keyword(s):  
Low Temperature ◽  
Raman Scattering ◽  
First Principles ◽  
Hydrogen Transport ◽  
First Principles Calculations ◽  
Scattering Measurements

Evidence for Hydrogen Transport in Deuterated LiBH4 from Raman-Scattering Measurements and First-Principles Calculations

2010 ◽  
Vol 72 ◽  
pp. 150-157
Author(s):  
Andreas Borgschulte ◽  
Robin Gremaud ◽  
Aníbal Javier Ramírez-Cuesta ◽  
Keith Refson ◽  
Andreas Züttel
Keyword(s):  
Raman Scattering ◽  
First Principles ◽  
Hydrogen Transport ◽  
First Principles Calculations ◽  
Scattering Measurements

Tuning metal oxide defect chemistry by thermochemical quenching

2020 ◽  
Vol 22 (11) ◽  
pp. 6308-6317
Author(s):  
Shehab Shousha ◽  
Sarah Khalil ◽  
Mostafa Youssef
Keyword(s):  
Low Temperature ◽  
Metal Oxide ◽  
Metal Oxides ◽  
First Principles ◽  
Growth Conditions ◽  
Defect Chemistry ◽  
First Principles Calculations

Based on first-principles calculations, we show how to tune the low temperature defect chemistry of metal oxides by varying growth conditions.

Anomalous low-temperature Raman scattering in a–Si1−xHx

1995 ◽  
Vol 10 (6) ◽  
pp. 1362-1370 ◽  
Author(s):  
D.M. Bhusari ◽  
Alka Kumbhar ◽  
S.T. Kshirsagar
Keyword(s):  
Thin Films ◽  
Low Temperature ◽  
Raman Scattering ◽  
Cross Section ◽  
Hydrogenated Amorphous Silicon ◽  
Phonon Coupling ◽  
Scattered Intensity ◽  
Electron Phonon Coupling ◽  
Scattering Measurements ◽  
Hydrogenated Amorphous

We have reported here on low-temperature Raman scattering measurements on thin films of hydrogenated amorphous silicon (α-Si:H) alloys having different H contents. The Stoke's intensity, 77KITO, scattered at 77 K by the TO-phonon is found to be several times greater than its corresponding magnitude (300KITO) at 300 K. The ratio (77KITO/300KITO) is observed to vary exponentially with an increase in H concentration of the film. After eliminating various possible contributions to the scattering cross section, and therefore to the scattered intensity, this anomalous light scattering at 77 K is attributed to the possibility of polarizability modulation, which is believed to be caused due to a possible reduction in light-induced migration of H in α-Si:H and to the charge-carrier-induced enhancement of electron phonon coupling at 77 K.

Influence of Cu adatoms on the molecular assembly of 4,4′-bipyridine on Cu(111)

2018 ◽  
Vol 20 (22) ◽  
pp. 15350-15357 ◽  
Author(s):  
M.-A. Dubois ◽  
O. Guillermet ◽  
S. Gauthier ◽  
G. Zhan ◽  
Y. Makoudi ◽  
...  
Keyword(s):  
Low Temperature ◽  
Scanning Tunneling Microscopy ◽  
First Principles ◽  
Variable Temperature ◽  
Molecular Assembly ◽  
Scanning Tunneling ◽  
First Principles Calculations ◽  
Tunneling Microscopy ◽  
Temperature Scanning

The formation of highly organized structures based on two ligands with pyridyl functionalities, 4,4′-bipyridine (BPY) and 1,4-di(4,4′′-pyridyl) benzene (BPYB), and Cu adatoms on the Cu(111) surface has been studied with low temperature and variable temperature scanning tunneling microscopy (STM) and first-principles calculations.

Cu9O2(SeO3)4Cl6 revisited: crystal structure, Raman scattering and first-principles calculations

2021 ◽  
pp. 162291
Author(s):  
K. Denisova ◽  
P. Lemmens ◽  
D Wulferding ◽  
P Berdonosov ◽  
V. Dolgikh ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Raman Scattering ◽  
First Principles ◽  
First Principles Calculations

scholarly journals Anomalous vibrational modes in few layer WTe 2 revealed by polarized Raman scattering and first-principles calculations

2D Materials ◽  
2017 ◽  
Vol 4 (3) ◽  
pp. 035024 ◽  
Author(s):  
Yan Cao ◽  
Natalya Sheremetyeva ◽  
Liangbo Liang ◽  
Hui Yuan ◽  
Tingting Zhong ◽  
...  
Keyword(s):  
Raman Scattering ◽  
First Principles ◽  
Vibrational Modes ◽  
First Principles Calculations ◽  
Polarized Raman
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