scholarly journals The identification of active N species in N-doped carbon carriers that improve the activity of Fe electrocatalysts towards the oxygen evolution reaction

RSC Advances ◽  
2019 ◽  
Vol 9 (9) ◽  
pp. 4806-4811
Author(s):  
Jia Jia ◽  
Ziwu Liu ◽  
Fei Han ◽  
Guo-Jun Kang ◽  
Ling Liu ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Active Species ◽  
Fe Catalyst

Experiments and DFT calculations demonstrate that graphitic N is the active species which improves the OER activity of Fe catalyst.

Electrodeposition of sulfur-engineered amorphous nickel hydroxides on MIL-53(Fe) nanosheets to accelerate the oxygen evolution reaction

Nanoscale ◽  
2019 ◽  
Vol 11 (31) ◽  
pp. 14785-14792 ◽  
Author(s):  
Fang Wu ◽  
Xiaoxue Guo ◽  
Gazi Hao ◽  
Yubing Hu ◽  
Wei Jiang
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Highly Efficient ◽  
Fe Catalyst

A novel Ni–S/MIL-53(Fe) catalyst fabricated via electrodepositing sulfur-engineered amorphous nickel hydroxides on MIL-53(Fe) nanosheets has been used as a highly efficient electrocatalyst for the OER.

scholarly journals Surface constrained electron-hole rich species active in the electrocatalytic water splitting

2020 ◽  
Author(s):  
Juan Velasco-Vélez ◽  
Emilia Carbonio ◽  
Cheng-Hao Chuang ◽  
Cheng-Jhih Hsu ◽  
Jyh-Fu Lee ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
High Performance ◽  
Active Species ◽  
Nucleophilic Attack ◽  
High Coverage ◽  
Near Surface ◽  
Nano Fabrication ◽  
Material Usage ◽  
Water Activation

Abstract Iridium and its oxides/hydroxides are the best candidates for the oxygen evolution reaction under harsh acidic conditions owing to the low overpotential and the high corrosion resistance observed for Ir-based anodes. Herein, by means of cutting edge operando surface and bulk sensitive X-ray spectroscopy techniques, specifically designed electrode nano-fabrication and ab initio DFT calculations, we were able to reveal the electronic structure of the active IrOx centers (i.e. oxidation state) during electrocatalytic oxidation of water in the surface and bulk of high-performance Ir-based catalysts. We found the oxygen evolution reaction is controlled by the formation of empty Ir 5d states in the surface ascribed to the formation of formally IrV species leading to the appearance of electron-deficient oxygen species bound to single iridium atoms (µ1-O and µ1-OH) that are responsible for water activation and oxidation, due to the bound oxygen’s transformation into an oxyl susceptible to nucleophilic attack water. Oxygen bound to three iridium centers (µ3-O) remains the dominant species in the bulk but do not participate directly in the electrocatalytic reaction, suggesting bulk oxidation is limited. In addition a high coverage of a µ1-OO (peroxo) species during the OER is excluded. Moreover, we provide the first photoelectron spectroscopic evidence in bulk electrolyte that the higher surface to bulk ratio in thinner electrodes enhances the material usage involving the precipitation of a significant part of the electrode surface and near-surface active species.

2D amorphous bi-metallic NiFe nitrides for high-efficiency oxygen evolution reaction

2021 ◽  
Author(s):  
Yifan Xu ◽  
Zhenfeng Cheng ◽  
Jingyun Jiang ◽  
Jiang Du ◽  
Qun Xu
Keyword(s):  
Dft Calculations ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
High Efficiency ◽  
Deep Eutectic Solvents ◽  
Two Dimensional ◽  
Large Size

Two-dimensional bi-metallic NiFe nitrides (2D NiFe-N) are successfully synthesized in the designed ternary deep eutectic solvents under the guidance of DFT calculations. Taking advantage of unique properties of large-size, ultrathin...

scholarly journals Oxygen evolution reaction at the Mo/W-doped bismuth vanadate surface: Assessing the dopant role by DFT calculations

2022 ◽  
Vol 517 ◽  
pp. 112036
Author(s):  
Arianna Massaro ◽  
Adriana Pecoraro ◽  
Simelys Hernández ◽  
Giovanni Talarico ◽  
Ana B. Muñoz-García ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Bismuth Vanadate

Electrochemically accessing ultrathin Co (oxy)-hydroxide nanosheets and operando identifying their active phase for the oxygen evolution reaction

2019 ◽  
Vol 12 (2) ◽  
pp. 739-746 ◽  
Author(s):  
Jing Zhou ◽  
Yu Wang ◽  
Xiaozhi Su ◽  
Songqi Gu ◽  
Renduo Liu ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Dft Calculations ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Active Phase ◽  
Chemical State ◽  
Surface Chemical ◽  
Applied Potential ◽  
Filling Process ◽  
Surface Chemical State

Operando XAS combined with DFT calculations allows us to draw a phase diagram of the surface chemical state as a function of applied potential, showing hydroxyl filling process and potential-dependent deprotonation process.

Electrochemical water oxidation by cobalt-Prussian blue coordination polymer and theoretical studies of the electronic structure of the active species

2019 ◽  
Vol 48 (15) ◽  
pp. 4811-4822 ◽  
Author(s):  
Bruno M. Pires ◽  
Pãmyla L. dos Santos ◽  
Vera Katic ◽  
Stefan Strohauer ◽  
Richard Landers ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Coordination Polymer ◽  
Prussian Blue ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Water Oxidation ◽  
Active Species ◽  
Theoretical Studies ◽  
Earth Abundant ◽  
Neutral Conditions

The search for earth-abundant metal-based catalysts for the oxygen evolution reaction (OER) that operates in neutral conditions is a challenge in the field of sustainable energy.

scholarly journals Regulating the active species of Ni(OH)2 using CeO2: 3D CeO2/Ni(OH)2/carbon foam as an efficient electrode for the oxygen evolution reaction

2017 ◽  
Vol 8 (4) ◽  
pp. 3211-3217 ◽  
Author(s):  
Zhengqing Liu ◽  
Na Li ◽  
Hongyang Zhao ◽  
Yi Zhang ◽  
Yunhui Huang ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Carbon Foam ◽  
Active Species

We found that Ni(OH)2 nanosheets of Ni(OH)2/NOSCF decorated with ∼3.3 nm CeO2 NPs displayed enhanced OER performance.

Sign in / Sign up

Export Citation Format

Share Document