scholarly journals The Importance of Finite Temperature and Vibrational Sampling in the Absorption Spectrum of a Nitro-Functionalized Ru(II) Water Oxidation Catalyst

2021 ◽  
Author(s):  
Anna Maria Wernbacher ◽  
Leticia Gonzalez
Keyword(s):  
Absorption Spectrum ◽  
Phase Space ◽  
Absorption Spectra ◽  
Water Oxidation ◽  
Finite Temperature ◽  
Oxidation Catalyst ◽  
Vibrational Motion ◽  
Essential Component ◽  
Intense Absorption

Consideration of finite temperature and vibrational motion can be an essential component for accurate simulations of absorption spectra. Here we use finite-temperature Wigner phase-space sampling to investigate the intense absorption...

scholarly journals Finite-temperature Wigner phase-space sampling and temperature effects on the excited-state dynamics of 2-nitronaphthalene

2019 ◽  
Vol 21 (26) ◽  
pp. 13906-13915 ◽  
Author(s):  
J. Patrick Zobel ◽  
Juan J. Nogueira ◽  
Leticia González
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
Phase Space ◽  
Excited States ◽  
Finite Temperature ◽  
Temperature Effects ◽  
Relaxation Dynamics ◽  
Vibrationally Excited ◽  
Excited State Dynamics

The concept of finite temperature Wigner phase-space sampling allowing the population of vibrationally excited states is introduced and employed to study temperature effects on the absorption spectrum of 2-nitronaphtalene (2NN) and its relaxation dynamics.

Water Oxidation Catalyst via Heterogenization of Iridium Oxides on Silica: A Polyamine-Mediated Route To Achieve Activity and Stability

ACS Catalysis ◽  
2016 ◽  
Vol 6 (9) ◽  
pp. 5699-5705 ◽  
Author(s):  
Nagaraju Shilpa ◽  
Joydeb Manna ◽  
Parasmani Rajput ◽  
Rohit Kumar Rana
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalyst ◽  
Iridium Oxides

Synthesis of nanostructuredβ-Ni(OH)2by electrochemical dissolution–precipitation and its application as a water oxidation catalyst

2016 ◽  
Vol 27 (27) ◽  
pp. 275401 ◽  
Author(s):  
Sang Cheol Jung ◽  
Soong Leong Sim ◽  
Ying Woan Soon ◽  
Chee Ming Lim ◽  
Peter Hing ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalyst ◽  
Electrochemical Dissolution

scholarly journals Ligand Modification Transforms a Catalase Mimic into a Water Oxidation Catalyst

2014 ◽  
Vol 53 (37) ◽  
pp. 9856-9859 ◽  
Author(s):  
Wei-Tsung Lee ◽  
Salvador B. Muñoz ◽  
Diane A. Dickie ◽  
Jeremy M. Smith
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalyst ◽  
Ligand Modification

A Biomimetic Copper Water Oxidation Catalyst with Low Overpotential

2013 ◽  
Vol 136 (1) ◽  
pp. 273-281 ◽  
Author(s):  
Teng Zhang ◽  
Cheng Wang ◽  
Shubin Liu ◽  
Jin-Liang Wang ◽  
Wenbin Lin
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalyst ◽  
Copper Water ◽  
Low Overpotential

A Self-Improved Water-Oxidation Catalyst: Is One Site Really Enough?

2013 ◽  
Vol 53 (1) ◽  
pp. 205-209 ◽  
Author(s):  
Isidoro López ◽  
Mehmed Z. Ertem ◽  
Somnath Maji ◽  
Jordi Benet-Buchholz ◽  
Anke Keidel ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalyst

scholarly journals Correction to Depth-Profiling Microanalysis of CoNCN Water-Oxidation Catalyst Using a λ = 46.9 nm Plasma-Laser for Nano-Ionization Mass Spectrometry

2018 ◽  
Vol 90 (20) ◽  
pp. 12322-12322
Author(s):  
Rafael Müeller ◽  
Ilya Kuznetsov ◽  
Yunieski Arbelo ◽  
Matthias Trottmann ◽  
Carmen S. Menoni ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Water Oxidation ◽  
Depth Profiling ◽  
Oxidation Catalyst ◽  
Ionization Mass Spectrometry ◽  
Ionization Mass ◽  
Plasma Laser
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