scholarly journals Highly active and selective oxygen reduction to H2O2 on boron-doped carbon for high production rates

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yang Xia ◽  
Xunhua Zhao ◽  
Chuan Xia ◽  
Zhen-Yu Wu ◽  
Peng Zhu ◽  
...  

AbstractOxygen reduction reaction towards hydrogen peroxide (H2O2) provides a green alternative route for H2O2 production, but it lacks efficient catalysts to achieve high selectivity and activity simultaneously under industrial-relevant production rates. Here we report a boron-doped carbon (B-C) catalyst which can overcome this activity-selectivity dilemma. Compared to the state-of-the-art oxidized carbon catalyst, B-C catalyst presents enhanced activity (saving more than 210 mV overpotential) under industrial-relevant currents (up to 300 mA cm−2) while maintaining high H2O2 selectivity (85–90%). Density-functional theory calculations reveal that the boron dopant site is responsible for high H2O2 activity and selectivity due to low thermodynamic and kinetic barriers. Employed in our porous solid electrolyte reactor, the B-C catalyst demonstrates a direct and continuous generation of pure H2O2 solutions with high selectivity (up to 95%) and high H2O2 partial currents (up to ~400 mA cm−2), illustrating the catalyst’s great potential for practical applications in the future.

2016 ◽  
Vol 55 (24) ◽  
pp. 6842-6847 ◽  
Author(s):  
Tat Thang Vo Doan ◽  
Jingbo Wang ◽  
Kee Chun Poon ◽  
Desmond C. L. Tan ◽  
Bahareh Khezri ◽  
...  

2010 ◽  
Vol 55 (27) ◽  
pp. 7975-7981 ◽  
Author(s):  
Vladimir Tripković ◽  
Egill Skúlason ◽  
Samira Siahrostami ◽  
Jens K. Nørskov ◽  
Jan Rossmeisl

2016 ◽  
Vol 128 (24) ◽  
pp. 6956-6961 ◽  
Author(s):  
Tat Thang Vo Doan ◽  
Jingbo Wang ◽  
Kee Chun Poon ◽  
Desmond C. L. Tan ◽  
Bahareh Khezri ◽  
...  

2012 ◽  
Vol 1384 ◽  
Author(s):  
Zhiyao Duan ◽  
Aditi Datta ◽  
Guofeng Wang

ABSTRACTWe have performed first-principles density functional theory calculations to investigate how subsurface 3d transition metals M (M = Ni, Co, Fe, Ti, or V) affect the energetics and mechanisms of oxygen reduction reaction (ORR) on the outermost Pt mono-surface layer of Pt/M (111) surfaces. We found that the alteration of the ORR mechanism pathway can explain the activity enhancement for ORR on the Pt/M (111) surfaces.


2018 ◽  
Vol 42 (9) ◽  
pp. 6873-6879 ◽  
Author(s):  
Yuewen Yang ◽  
Kai Li ◽  
Yanan Meng ◽  
Ying Wang ◽  
Zhijian Wu

The rational design of heteroatom doped graphene as a highly active and non-noble oxygen reduction reaction (ORR) electrocatalyst is significant for the commercial applications of fuel cells.


2019 ◽  
Vol 1 (1) ◽  
pp. 132-139 ◽  
Author(s):  
Seoin Back ◽  
Samira Siahrostami

Discovering active, stable and cost-effective catalysts for the oxygen reduction reaction (ORR) is of utmost interest for commercialization of fuel cells. Herein, we use density functional theory calculations to systematically study metal supported hexagonal boron nitride as ORR catalysts. Our results indicate that this strategy is a promising to increase the stability against CO poisoning as well as to activate inert h-BN toward the ORR.


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