A one-electron model for the aqueous electron that includes many-body electron-water polarization: Bulk equilibrium structure, vertical electron binding energy, and optical absorption spectrum

2010 ◽  
Vol 133 (15) ◽  
pp. 154506 ◽  
Author(s):  
Leif D. Jacobson ◽  
John M. Herbert
Keyword(s):  
Absorption Spectrum ◽  
Binding Energy ◽  
Optical Absorption ◽  
Optical Absorption Spectrum ◽  
Equilibrium Structure ◽  
Electron Binding Energy ◽  
Many Body ◽  
Electron Model ◽  
Electron Binding

Tuning the binding energy of excitons in the MoS2 monolayer by molecular functionalization and defective engineering

2020 ◽  
Vol 22 (21) ◽  
pp. 11936-11942
Author(s):  
Kangli Wang ◽  
Beate Paulus
Keyword(s):  
Absorption Spectrum ◽  
Binding Energy ◽  
Optical Absorption ◽  
Band Gap ◽  
Optical Absorption Spectrum ◽  
Exciton Binding Energy ◽  
Electronic Band ◽  
Mos2 Monolayer ◽  
Electronic Band Gap

Using the DFT-GW-BSE method, we analyze how the electronic band gap, optical absorption spectrum and exciton binding energy of the MoS2 monolayer are influenced by NO and C3H3N3 molecules and S-defects.

Article

1998 ◽  
Vol 76 (4) ◽  
pp. 411-413
Author(s):  
Yixing Zhao ◽  
Gordon R Freeman
Keyword(s):  
Absorption Spectrum ◽  
Optical Absorption ◽  
Temperature Dependence ◽  
Optical Absorption Spectrum ◽  
Infrared Light ◽  
Solvated Electron ◽  
Solvated Electrons ◽  
Tert Butanol ◽  
Solvent Dependence ◽  
Increasing Temperature

The energy and asymmetry of the optical absorption spectrum of solvated electrons, es- , change in a nonlinear fashion on changing the solvent through the series HOH, CH3OH, CH3CH3OH, (CH3)2CHOH, (CH3)3COH. The ultimate, quantum-statistical mechanical, interpretation of solvated electron spectra is needed to describe the solvent dependence. The previously reported optical spectrum of es- in tert-butanol was somewhat inaccurate, due to a small amount of water in the alcohol and to limitations of the infrared light detector. The present note records the remeasured spectrum and its temperature dependence. The value of the energy at the absorption maximum (EAmax) is 155 zJ (0.97 eV) at 299 K and 112 zJ (0.70 eV) at 338 K; the corresponding values of G epsilon max (10-22 m2 aJ-1) are 1.06 and 0.74. These unusually large changes are attributed to the abnormally rapid decrease of dielectric permittivity of tert-butanol with increasing temperature. The band asymmetry at 299 K is Wb/Wr = 1.8.Key words: optical absorption spectrum, solvated electron, solvent effects, tert-butanol, temperature dependence.

scholarly journals Monitoring mechanical motion of carbon nanotube based nanomotor by optical absorption spectrum

2016 ◽  
Vol 109 (26) ◽  
pp. 263104 ◽  
Author(s):  
Baomin Wang ◽  
Xuewei Cao ◽  
Zhan Wang ◽  
Yong Wang ◽  
Kaihui Liu
Keyword(s):  
Absorption Spectrum ◽  
Carbon Nanotube ◽  
Optical Absorption ◽  
Optical Absorption Spectrum ◽  
Mechanical Motion

Correspondence between Electron Binding Energy and Chemisorption Reactivity of Iron Clusters

1985 ◽  
Vol 54 (14) ◽  
pp. 1494-1497 ◽  
Author(s):  
R. L. Whetten ◽  
D. M. Cox ◽  
D. J. Trevor ◽  
A. Kaldor
Keyword(s):  
Binding Energy ◽  
Electron Binding Energy ◽  
Iron Clusters ◽  
Electron Binding

Covalency, Spin Densities and Core Electron Binding Energy Splittings in Rare Earth Ion Complexes

1973 ◽  
Author(s):  
E. Byrom ◽  
D. E. Ellis ◽  
A. J. Freeman ◽  
Hugh C. Wolfe ◽  
C. D. Graham ◽  
...  
Keyword(s):  
Rare Earth ◽  
Binding Energy ◽  
Electron Binding Energy ◽  
Rare Earth Ion ◽  
Core Electron ◽  
Spin Densities ◽  
Electron Binding
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