Reaction pathways for the hydrolysis of (ZnO)3 nanoclusters on graphene oxide as a key step for water splitting reaction– A DFT study

2021 ◽  
Author(s):  
Duwage Perera ◽  
Jayendran Rasaiah
Keyword(s):  
Graphene Oxide ◽  
Water Splitting ◽  
Dft Study ◽  
Reaction Pathways ◽  
Hydrolysis Of

Photocatalytic CO2 reduction using water as an electron donor by a powdered Z-scheme system consisting of metal sulfide and an RGO–TiO2 composite

2017 ◽  
Vol 198 ◽  
pp. 397-407 ◽  
Author(s):  
Tomoaki Takayama ◽  
Ko Sato ◽  
Takehiro Fujimura ◽  
Yuki Kojima ◽  
Akihide Iwase ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Graphene Oxide ◽  
Visible Light ◽  
Water Splitting ◽  
Electron Donor ◽  
Visible Light Irradiation ◽  
Co2 Reduction ◽  
Metal Sulfide ◽  
Electron Donors ◽  
Reduced Graphene

CuGaS2, (AgInS2)x–(ZnS)2−2x, Ag2ZnGeS4, Ni- or Pb-doped ZnS, (ZnS)0.9–(CuCl)0.1, and ZnGa0.5In1.5S4 showed activities for CO2 reduction to form CO and/or HCOOH in an aqueous solution containing K2SO3 and Na2S as electron donors under visible light irradiation. Among them, CuGaS2 and Ni-doped ZnS photocatalysts showed relatively high activities for CO and HCOOH formation, respectively. CuGaS2 was applied in a powdered Z-scheme system combining with reduced graphene oxide (RGO)-incorporated TiO2 as an O2-evolving photocatalyst. The powdered Z-scheme system produced CO from CO2 in addition to H2 and O2 due to water splitting. Oxygen evolution with an almost stoichiometric amount indicates that water was consumed as an electron donor in the Z-schematic CO2 reduction. Thus, we successfully demonstrated CO2 reduction of artificial photosynthesis using a simple Z-scheme system in which two kinds of photocatalyst powders (CuGaS2 and an RGO–TiO2 composite) were only dispersed in water under 1 atm of CO2.

Tuning the cationic ratio of Fe1CoxNiyP integrated on Vertically aligned reduced graphene oxide array via electroless plating as efficient self-supported bifunctional electrocatalyst for water splitting

2021 ◽  
pp. 1-33
Author(s):  
Kaiming Guo ◽  
Firdoz Shaik ◽  
Jine Yang ◽  
Bin Jiang
Keyword(s):  
Graphene Oxide ◽  
Reduced Graphene Oxide ◽  
Water Splitting ◽  
Electroless Plating ◽  
Cost Effective ◽  
Bifunctional Electrocatalyst ◽  
Reduced Graphene ◽  
Wide Ph Range ◽  
Vertically Aligned ◽  
Ph Range

Abstract Water splitting is considered as a potential sustainable and green technology for producing mass hydrogen and oxygen. A cost-effective self-supported stable electrocatalyst with excellent electrocatalytic performance in a wide pH range is greatly required for water splitting. This work reports on the synthesis and anchoring of Fe1CoxNiyP nanoparticles on vertically aligned reduced graphene oxide array (VrGO) via electroless plating. The catalytic activity of Fe1CoxNiyP nanoparticles is tuned finely by tailoring the cationic ratio of Co and Ni. Fe1Co2Ni1P/VrGO exhibits the lowest overpotential (58 and 110 mV) at 10 mA cm−2 and lowest tafel slope (31 and 33 mV dec−1) for hydrogen evolution reaction in 1.0 M KOH and 0.5 M H2SO4 respectively. Fe1Co1Ni2P/VrGO exhibits the lowest overpotential (173 mV) at 10 mA cm−2 with lowest tafel slope (47 mV dec-1) for oxygen evolution reaction. The enhanced performance of the electrocatalyst is attributed to improved electrical conductivity, synergistic effects and beneficial electronic states caused by the appropriate atomic ratio of Co and Ni in the bifunctional electrocatalyst. This study helps to explore the effect of variable cationic ratio in the cost-effective ternary iron group metal phosphides electrocatalysts to achieve enhanced electrocatalytic performance for water splitting in a wide pH range.

scholarly journals Generation of 1,2-oxathiolium ions from (arysulfonyl)- and (arylsulfinyl)allenes in Brønsted acids. NMR and DFT study of these cations and their reactions

2018 ◽  
Vol 14 ◽  
pp. 2897-2906 ◽  
Author(s):  
Stanislav V Lozovskiy ◽  
Alexander Yu Ivanov ◽  
Olesya V Khoroshilova ◽  
Aleksander V Vasilyev
Keyword(s):  
Dft Calculations ◽  
Reaction Mechanisms ◽  
Dft Study ◽  
Bronsted Acids ◽  
Allyl Alcohols ◽  
High Yields ◽  
Hydrolysis Of

In strong Brønsted acids (CF3SO3H, FSO3H, D2SO4), (arysulfonyl)allenes (ArSO2–CR1=C=CR2R3) and (arylsulfinyl)allenes (ArSO–CR1=C=CR2R3) undergo cyclization into the corresponding stable 1,2-oxathiolium ions, which were studied by means of NMR and DFT calculations. Quenching of solutions of these cations with low nucleophilic media, aqueous HCl, leads to their deprotonation with a stereoselective formation of (arysulfonyl)butadienes (for instance, ArSO2–CR1=C–C(Me)=CH2, for R2 = R3 = Me, yields of 87–98%). Reactions of (arysulfonyl)allenes in the system TfOH (0.1 equiv)–HFIP (hexafluoropropan-2-ol) followed by hydrolysis give rise to allyl alcohols (ArSO2–CR1=CH–C(OH)R2R3, yields of 78–99%). Reflux of solutions of (arysulfonyl)allenes in the presence of TfOH (1 equiv) in 1,2-dichlorobenzene leads to the cyclization into thiochromene 1,1-dioxides in high yields. Under the action of TfOH or AlX3 (X = Cl, Br) followed by hydrolysis of reaction mixtures, (arylsulfinyl)allenes give allyl alcohols (ArSO2–CR1=CH–C(OH)R2R3). Plausible reaction mechanisms have been proposed for all studied reactions.

Sign in / Sign up

Export Citation Format

Share Document