A New Type of Scaling Relations to Assess the Accuracy of Computational Predictions of Catalytic Activities Applied to the Oxygen Evolution Reaction

ChemCatChem ◽  
2017 ◽  
Vol 9 (7) ◽  
pp. 1261-1268 ◽  
Author(s):  
Ludovic G. V. Briquet ◽  
Misbah Sarwar ◽  
Jane Mugo ◽  
Glenn Jones ◽  
Federico Calle-Vallejo
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Scaling Relations ◽  
Catalytic Activities ◽  
New Type ◽  
Computational Predictions

scholarly journals Surface reconstruction establishing Mott-Schottky heterojunction and built-in space-charging effect accelerating oxygen evolution reaction

Nano Research ◽  
2021 ◽  
Author(s):  
Yao Kang ◽  
Shuo Wang ◽  
Kwan San Hui ◽  
Shuxing Wu ◽  
Duc Anh Dinh ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Oxygen Evolution ◽  
Surface Reconstruction ◽  
Oxygen Evolution Reaction ◽  
Active Sites ◽  
Density Functional ◽  
Electrochemical Process ◽  
Ex Situ ◽  
Catalytic Activities ◽  
Spectroscopy Studies

AbstractStructural reconstruction of nanomaterials offers a fantastic way to regulate the electronic structure of active sites and promote their catalytic activities. However, how to properly facilitate surface reconstruction to overcome large overpotential that stimulate the surface reconstruction has remained elusive. Herein, we adopt a facile approach to activate surface reconstruction on Ni(OH)2 by incorporating F anions to achieve electro-derived structural oxidation process and further boost its oxygen evolution reaction (OER) activity. Ex situ Raman and X-ray photoemission spectroscopy studies indicate that F ions incorporation facilitated surface reconstruction and promotes the original Ni(OH)2 transformed into a mesoporous and amorphous F-NiOOH layer during the electrochemical process. Density functional theory (DFT) calculation reveals that this self-reconstructed NiOOH induces a space-charge effect on the p-n junction interface, which not only promotes the absorption of intermediates species (*OH, *O, and *OOH) and charge-transfer process during catalysis, but also leads to a strong interaction of the p-n junction interface to stabilize the materials. This work opens up a new possibility to regulate the electronic structure of active sites and promote their catalytic activities.

Activity of pure and transition metal-modified CoOOH for the oxygen evolution reaction in an alkaline medium

2017 ◽  
Vol 5 (2) ◽  
pp. 842-850 ◽  
Author(s):  
Zhu Chen ◽  
Coleman X. Kronawitter ◽  
Yao-Wen Yeh ◽  
Xiaofang Yang ◽  
Peng Zhao ◽  
...  
Keyword(s):  
Transition Metal ◽  
Oxygen Evolution ◽  
Alkaline Medium ◽  
Oxygen Evolution Reaction ◽  
Surface Species ◽  
Catalytic Activities ◽  
Cobalt Oxyhydroxide ◽  
Nickel Incorporation

Cobalt oxyhydroxide nanowires show excellent oxygen evolution activity, which is further enhanced by nickel incorporation. Effects of nickel and manganese incorporation on the catalytic activities are explained in term of surface species stabilities.

Electronic structure modulation of metal-free graphdiyne for acidic oxygen evolution reaction

2D Materials ◽  
2021 ◽  
Author(s):  
Zhiqiang Zheng ◽  
Yurui Xue ◽  
Yaqi Gao ◽  
Zhongqiang Wang ◽  
Shuya Zhao ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
High Performance ◽  
Carbon Materials ◽  
Metal Free ◽  
Catalytic Activities ◽  
Structure Modulation ◽  
Flexible Metal ◽  
Kinetics Of

Abstract Developing high-performance metal-free electrocatalysts for acidic oxygen evolution reaction (AOER) is highly desirable but remains great challenge. Here we report a rationally substituting sp-C strategy for the synthesis of methyl- and hydrogen-substituted graphdiyne (MGDY, HGDY) nanowires arrays as 3D porous flexible metal-free electrodes for AOER. Methyl group in MGDY with stronger electron-pushing effect makes electrons around the acetylenic carbon atoms more delocalized, resulting in more uneven distributed surface charge, and higher intrinsic catalytic activities for AOER than HGDY, with the smaller overpotential of 406 mV at 10 mA cm−2 than HGDY and previously reported metal-free electrocatalysts. Our results reveal that the modulation of the electronic structure of GDY by selectively substituting sp-C allows for facilitating charge transfer kinetics, improving adsorption of reaction intermediate, and thereby accelerating the sluggish kinetics of AOER. This work provides us an ideal opportunity for studying the exact HER/OER mechanisms of metal-free carbon materials.

Improving the oxygen evolution reaction using electronic structure modulation of sulfur-retaining nickel-based electrocatalysts

2021 ◽  
Author(s):  
Man Ho Han ◽  
Min-wook Pin ◽  
Jai Hyun Koh ◽  
Jong Hyeok Park ◽  
Jihyun Kim ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transition Metals ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Experimental Studies ◽  
Promising Method ◽  
Catalytic Activities ◽  
Structure Modulation

The sulfurization of transition metals is a promising method for improving their catalytic activities in the oxygen evolution reaction (OER). However, experimental studies regarding the effects of undissolved, remaining S...

Research of oxygen evolution reaction based on ZIF-67 catalyst

Nanoscale ◽  
2021 ◽  
Author(s):  
Hui Wen ◽  
Shengqi Zhang ◽  
tao yu ◽  
ZiYu Yi ◽  
Rui Guo
Keyword(s):  
Porous Material ◽  
Surface Area ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Pore Volume ◽  
High Surface ◽  
High Surface Area ◽  
Zeolite Framework ◽  
New Type ◽  
Large Pore Volume

As a new type of crystalline porous material, the imidazole zeolite framework (ZIF) has attracted widespread attention due to its ultra-high surface area, large pore volume, and unique advantages of...

Nickel enhanced the catalytic activities of amorphous copper for the oxygen evolution reaction

2017 ◽  
Vol 5 (9) ◽  
pp. 4331-4334 ◽  
Author(s):  
Leidanyang Wang ◽  
Xingbo Ge ◽  
Yuxuan Li ◽  
Jia Liu ◽  
Lieyuan Huang ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Electrocatalytic Activity ◽  
Step Method ◽  
Catalytic Activities ◽  
One Step

Rice-like NiCuOx nanoparticles, fabricated via a one-step method, exhibit enhanced electrocatalytic activity and stability towards the OER.

Cr‐Dopant Induced Breaking of Scaling Relations in CoFe Layered Double Hydroxides for Improvement of Oxygen Evolution Reaction

Small ◽  
2019 ◽  
Vol 15 (35) ◽  
pp. 1902373 ◽  
Author(s):  
Lulu Wen ◽  
Xilin Zhang ◽  
Jieyu Liu ◽  
Xinyang Li ◽  
Changchang Xing ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Layered Double Hydroxides ◽  
Oxygen Evolution Reaction ◽  
Scaling Relations ◽  
Double Hydroxides
Sign in / Sign up

Export Citation Format

Share Document