Effects of Ta2O5 Surface Modification by NH3 on the Electronic Structure of a Ru-Complex/N–Ta2O5 Hybrid Photocatalyst for Selective CO2 Reduction

2018 ◽  
Vol 122 (4) ◽  
pp. 1921-1929 ◽  
Author(s):  
Soichi Shirai ◽  
Shunsuke Sato ◽  
Tomiko M. Suzuki ◽  
Ryosuke Jinnouchi ◽  
Nobuko Ohba ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Surface Modification ◽  
Co2 Reduction ◽  
Ru Complex ◽  
Hybrid Photocatalyst

scholarly journals Z-Schematic and visible-light-driven CO2 reduction using H2O as an electron donor by a particulate mixture of a Ru-complex/(CuGa)1−xZn2xS2 hybrid catalyst, BiVO4 and an electron mediator

2018 ◽  
Vol 54 (72) ◽  
pp. 10199-10202 ◽  
Author(s):  
Tomiko M. Suzuki ◽  
Shunya Yoshino ◽  
Tomoaki Takayama ◽  
Akihide Iwase ◽  
Akihiko Kudo ◽  
...  
Keyword(s):  
Visible Light ◽  
Electron Donor ◽  
Aqueous Suspension ◽  
Co2 Reduction ◽  
Metal Sulfide ◽  
Electron Mediator ◽  
Ru Complex ◽  
Particulate Metal ◽  
Visible Light Driven ◽  
Hybrid Photocatalyst

Visible-light-driven Z-schematic CO2 reduction using H2O as an electron donor was achieved by an aqueous suspension of a particulate metal-sulfide/molecular hybrid photocatalyst.

Visible-light CO2 reduction over a ruthenium(ii)-complex/C3N4 hybrid photocatalyst: the promotional effect of silver species

2018 ◽  
Vol 6 (20) ◽  
pp. 9708-9715 ◽  
Author(s):  
Kazuhiko Maeda ◽  
Daehyeon An ◽  
Chandana Sampath Kumara Ranasinghe ◽  
Tomoki Uchiyama ◽  
Ryo Kuriki ◽  
...  
Keyword(s):  
Visible Light ◽  
Co2 Reduction ◽  
Ru Complex ◽  
Promotional Effect ◽  
Hybrid Photocatalyst

Promotional effect of Ag species on visible-light CO2 reduction by a Ru-complex/Ag/C3N4 photocatalyst was examined.

scholarly journals Electronic structure tuning via surface modification in semimetallic nanowires

2016 ◽  
Vol 94 (23) ◽  
Author(s):  
Alfonso Sanchez-Soares ◽  
Conor O'Donnell ◽  
James C. Greer
Keyword(s):  
Electronic Structure ◽  
Surface Modification

Construction of a supported Ru complex on bifunctional MOF-253 for photocatalytic CO2 reduction under visible light

2015 ◽  
Vol 51 (13) ◽  
pp. 2645-2648 ◽  
Author(s):  
Dengrong Sun ◽  
Yanhong Gao ◽  
Jinlong Fu ◽  
Xianchong Zeng ◽  
Zhongning Chen ◽  
...  
Keyword(s):  
Visible Light ◽  
Visible Light Irradiation ◽  
Photocatalytic Performance ◽  
Co2 Reduction ◽  
Light Irradiation ◽  
Carbonyl Complex ◽  
Ru Complex

A MOF-253 supported active Ru carbonyl complex (MOF-253–Ru(CO)2Cl2) was constructed for photocatalytic CO2 reduction under visible light irradiation. The photocatalytic performance can be further improved by immobilization of Ru(bpy)2Cl2 as a photosensitizer.

Enhancement of CO2 reduction activity under visible light irradiation over Zn-based metal sulfides by combination with Ru-complex catalysts

2018 ◽  
Vol 224 ◽  
pp. 572-578 ◽  
Author(s):  
Tomiko M. Suzuki ◽  
Tomoaki Takayama ◽  
Shunsuke Sato ◽  
Akihide Iwase ◽  
Akihiko Kudo ◽  
...  
Keyword(s):  
Visible Light ◽  
Visible Light Irradiation ◽  
Co2 Reduction ◽  
Light Irradiation ◽  
Metal Sulfides ◽  
Reduction Activity ◽  
Ru Complex

scholarly journals A Z-scheme photocatalyst constructed with an yttrium–tantalum oxynitride and a binuclear Ru(ii) complex for visible-light CO2 reduction

2016 ◽  
Vol 52 (50) ◽  
pp. 7886-7889 ◽  
Author(s):  
Kanemichi Muraoka ◽  
Hiromu Kumagai ◽  
Miharu Eguchi ◽  
Osamu Ishitani ◽  
Kazuhiko Maeda
Keyword(s):  
Visible Light ◽  
Band Gap ◽  
High Selectivity ◽  
Co2 Reduction ◽  
Very High ◽  
Hybrid Photocatalyst

A hybrid photocatalyst composed of an yttrium–tantalum oxynitride (with a 2.1 eV band gap) and a binuclear Ru(ii) complex containing both photosensitizing and catalytic units was capable of reducing CO2 to HCOOH with very high selectivity (>99%) under visible light (>400 nm) irradiation.

scholarly journals Unified Mechanistic Understanding of CO2 Reduction to CO on Transition Metal and Single Atom Catalysts

2021 ◽  
Author(s):  
Sudarshan Vijay ◽  
Wen Ju ◽  
Sven Brückner ◽  
Peter Strasser ◽  
Karen Chan
Keyword(s):  
Electron Transfer ◽  
Electronic Structure ◽  
Transition Metal ◽  
Density Functional ◽  
Co2 Reduction ◽  
Electron Transfer Reaction ◽  
Dipole Field ◽  
Single Atom ◽  
Activity Measurements ◽  
Carbon Catalysts

<p>CO is the simplest product from CO<sub>2</sub> electroreduction (CO<sub>2</sub>R), but the identity and nature of its rate limiting step remains controversial. Here we investigate the activity of both transition metals (TMs) and metal-nitrogen doped carbon catalysts (MNCs), and a present unified mechanistic picture of CO<sub>2</sub>R to for both these classes of catalysts. By consideration of the electronic structure through a Newns-Andersen model, we find that on MNCs, like TMs, electron transfer to CO<sub>2</sub><sub> </sub>is facile, such that CO<sub>2</sub> (g) adsorption is driven by adsorbate dipole-field interactions. Using density functional theory with explicit consideration of the interfacial field, we find CO<sub>2</sub> * adsorption to generally be limiting on TMs, while MNCs can be limited by either CO<sub>2</sub>* adsorption or by the proton-electron transfer reaction to form COOH*. We evaluate these computed mechanisms against pH-dependent experimental activity measurements on CO<sub>2</sub>R to CO activity for Au, FeNC, and NiNC. We present a unified activity volcano that, in contrast to previous analyses, includes the decisive CO<sub>2</sub>*<sub> </sub>and COOH* binding strengths as well as the critical adsorbate dipole-field interactions. We furthermore show that MNC catalysts are tunable towards higher activity away from transition metal scaling, due to the stabilization of larger dipoles resulting from their discrete and narrow <i>d</i>-states. The analysis suggests two design principles for ideal catalysts: moderate CO<sub>2</sub>* and COOH* binding strengths as well as large dipoles on the CO<sub>2</sub>*<sub> </sub>intermediate. We suggest that these principles can be exploited in materials with similar electronic structure to MNCs, such as supported single-atom catalysts, molecules, and nanoclusters, 2D materials, and ionic compounds towards higher CO<sub>2</sub>R activity. This work captures the decisive impact of adsorbate dipole-field interactions in CO<sub>2</sub>R to CO and paves the way for computational-guided design of new catalysts for this reaction.</p>

scholarly journals First Principle Calculation of Electronic, Optical Properties and Photocatalytic Potential of CuO Surfaces

2016 ◽  
Vol 1 ◽  
Author(s):  
Faozan Ahmad
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
Water Splitting ◽  
Co2 Reduction ◽  
Band Edge ◽  
Semiconductor Surface ◽  
First Principle Calculation ◽  
Stable Surface ◽  
Input Parameters

<p class="TTPKeywords">We have performed DFT calculations of electronic structure, optical properties and photocatalytic potential of the low-index surfaces of CuO. Photocatalytic reaction on the surface of semiconductor requires the appropriate band edge of the semiconductor surface to drive redox reactions. The calculation begins with the electronic structure of bulk system; it aims to determine realistic input parameters and band gap prediction. CuO is an antiferromagnetic material with strong electronic correlations, so that we have applied DFT + U calculation with spin polarized approach, beside it, we also have used GW approximation to get band gap correction. Based on the input parameters obtained, then we calculate surface energy, work function and band edge of the surfaces based on a framework developed by Bendavid et al (J. Phys. Chem. B, 117, 15750-15760) and then they are aligned with redox potential needed for water splitting and CO<sub>2</sub> reduction. Based on the calculations result can be concluded that not all of low-index CuO have appropriate band edge to push reaction of water splitting and CO2 reduction, only the surface CuO(111) and CuO(011) which meets the required band edge. Fortunately, based on the formation energy, CuO(111) and CuO(011) is the most stable surface. The last we calculate electronic structure and optical properties (dielectric function) of low-index surface of CuO, in order to determine the surface state of the most stable surface of CuO.</p>

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