Photocatalytic oxygen evolution from low-bandgap conjugated microporous polymer nanosheets: a combined first-principles calculation and experimental study

Nanoscale ◽  
2017 ◽  
Vol 9 (12) ◽  
pp. 4090-4096 ◽  
Author(s):  
Lei Wang ◽  
Yangyang Wan ◽  
Yanjun Ding ◽  
Yuchen Niu ◽  
Yujie Xiong ◽  
...  
Keyword(s):  
Experimental Study ◽  
Oxygen Evolution ◽  
First Principles ◽  
First Principles Calculation ◽  
Low Bandgap ◽  
Conjugated Microporous Polymer ◽  
Microporous Polymer

scholarly journals Metal-Free Pyrene-Based Conjugated Microporous Polymer Catalyst Bearing N- and S-Sites for Photoelectrochemical Oxygen Evolution Reaction

2021 ◽  
Vol 9 ◽  
Author(s):  
Sabuj Kanti Das ◽  
Sanjib Shyamal ◽  
Manisha Das ◽  
Saptarsi Mondal ◽  
Avik Chowdhury ◽  
...  
Keyword(s):  
Surface Area ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Magic Angle Spinning ◽  
Bandgap Energy ◽  
Magic Angle ◽  
Low Bandgap ◽  
Metal Free ◽  
Conjugated Microporous Polymer ◽  
Microporous Polymer

The development of an efficient, sustainable, and inexpensive metal-free catalyst for oxygen evolution reaction (OER) via photoelectrochemical water splitting is very demanding for energy conversion processes such as green fuel generators, fuel cells, and metal-air batteries. Herein, we have developed a metal-free pyrene-based nitrogen and sulfur containing conjugated microporous polymer having a high Brunauer-Emmett-Teller surface area (761 m2 g−1) and a low bandgap of 2.09 eV for oxygen evolution reaction (OER) in alkaline solution. The π-conjugated as-synthesized porous organic material (PBTDZ) has been characterized by Fourier transform infrared spectroscopy (FT-IR), solid-state 13C (cross-polarization magic angle spinning-nuclear magnetic resonance) CP-MAS NMR, N2 adsorption/desorption analysis, field-emission scanning electron microscope (FESEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS) and thermogravimetric analysis (TGA) experiments. The material acts as an efficient catalyst for photoelectrochemical OER with a current density of 80 mA/cm2 at 0.8 V vs. Ag/AgCl and delivered 104 µmol of oxygen in a 2 h run. The presence of low bandgap energy, π-conjugated conducting polymeric skeleton bearing donor heteroatoms (N and S), and higher specific surface area associated with inherent microporosity are responsible for this admirable photoelectrocatalytic activity of PBTDZ catalyst.

Cyclic oxidation behavior of Al-Si coating on new γ′-strengthened cobalt-based superalloy: Experimental study and first-principles calculation

2021 ◽  
Vol 185 ◽  
pp. 109422
Author(s):  
Kanglu Feng ◽  
Meifeng Li ◽  
Mingyue Chen ◽  
Zhen Li ◽  
Jiangbo Sha ◽  
...  
Keyword(s):  
Experimental Study ◽  
First Principles ◽  
Cyclic Oxidation ◽  
Oxidation Behavior ◽  
First Principles Calculation

scholarly journals Gapless band structure of PbPdO2: A combined first principles calculation and experimental study

2011 ◽  
Vol 99 (1) ◽  
pp. 012103 ◽  
Author(s):  
S. W. Chen ◽  
S. C. Huang ◽  
G. Y. Guo ◽  
J. M. Lee ◽  
S. Chiang ◽  
...  
Keyword(s):  
Experimental Study ◽  
Band Structure ◽  
First Principles ◽  
First Principles Calculation

Iron incorporation affecting the structure and boosting catalytic activity of β-Co(OH)2: exploring the reaction mechanism of ultrathin two-dimensional carbon-free Fe3O4-decorated β-Co(OH)2nanosheets as efficient oxygen evolution electrocatalysts

2017 ◽  
Vol 5 (15) ◽  
pp. 6849-6859 ◽  
Author(s):  
Fengzhan Sun ◽  
Linbo Li ◽  
Guo Wang ◽  
Yuqing Lin
Keyword(s):  
Catalytic Activity ◽  
Reaction Mechanism ◽  
Oxygen Evolution ◽  
First Principles ◽  
Oxygen Evolution Reaction ◽  
First Principles Calculation ◽  
Two Dimensional ◽  
Iron Incorporation

Ultrathin two-dimensional Fe3O4-decorated β-Co(OH)2nanosheets are synthesized for oxygen evolution reaction and reaction mechanism is explored by first principles calculation.

Efficacious Electrochemical Oxygen Evolution from a Novel Co(II) Porphyrin/Pyrene-Based Conjugated Microporous Polymer

2018 ◽  
Vol 11 (1) ◽  
pp. 1520-1528 ◽  
Author(s):  
Subhajit Bhunia ◽  
Kousik Bhunia ◽  
Bidhan Chandra Patra ◽  
Sabuj Kanti Das ◽  
Debabrata Pradhan ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Conjugated Microporous Polymer ◽  
Microporous Polymer ◽  
Electrochemical Oxygen
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