First-principles study of two-dimensional material Cr2B2 as catalyst for electrochemical nitrogen reduction reaction

Author(s):  
Long Lin ◽  
Pei Shi ◽  
Ling Fu ◽  
Chaozheng He ◽  
Jinrong Huo ◽  
...  
2020 ◽  
Vol 44 (2) ◽  
pp. 422-427 ◽  
Author(s):  
Jing Zhang ◽  
Yameng Zhao ◽  
Zhi Wang ◽  
Gui Yang ◽  
Junlong Tian ◽  
...  

B decoration enables C9N4 monolayer, a novel nodal-line semimetal with high electron mobility, to efficiently catalyze electrocatalytic nitrogen reduction reaction under ambient conditions.


Author(s):  
Yongqing Cai ◽  
Zheng Shu

Nitrogen reduction reaction (NRR) which converts nitrogen (N2) to ammonia (NH3) normally requires harsh conditions to break the bound nitrogen bond. Herein, via first-principles calculation we reveal that a superior...


2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi

2021 ◽  
Vol 23 (7) ◽  
pp. 4178-4186
Author(s):  
Shiqiang Liu ◽  
Zhiwen Cheng ◽  
Yawei Liu ◽  
Xiaoping Gao ◽  
Yujia Tan ◽  
...  

Designing atomically dispersed metal catalysts for the nitrogen reduction reaction (NRR) is an effective approach to achieve better energy conversion efficiencies.


Author(s):  
Vasilii Vasilchenko ◽  
Sergey Levchenko ◽  
Vasili Perebeinos ◽  
Andriy Zhugayevych

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