Molybdenum based 2D conductive Metal–Organic frameworks as efficient single-atom electrocatalysts for N2 reduction: A density functional theory study
Y Sun, W Shi, M Sun, Q Fang, X Ren, Y Yan… - International Journal of …, 2023 - Elsevier
Electrocatalytic nitrogen reduction reaction (NRR) is a sustainable and eco-friendly process
to generate ammonia (NH 3). However, there are significant challenges including low …
to generate ammonia (NH 3). However, there are significant challenges including low …
Study of the reversible hydrogen storage performance of Ti-decorated hexagonal B36 by DFT calculations with van der Waals corrections
P Liu, Y Zhang, F Liu - International Journal of Hydrogen Energy, 2022 - Elsevier
In this work, we report on the study of the hydrogen storage capability of titanium (Ti)
decorated B 36 nanosheets using density functional theory (DFT) calculations with van der …
decorated B 36 nanosheets using density functional theory (DFT) calculations with van der …
The transition metal doped B cluster (TM4B18) as catalysis for nitrogen fixation
X Fang, X Yang, H Wang - Molecular Catalysis, 2023 - Elsevier
Renewable electrically/light-driven nitrogen reduction from earth's abundant nitrogen is
considered one of the most attractive strategies for clean energy transport and storage …
considered one of the most attractive strategies for clean energy transport and storage …
Rational design of precious tetrametallic single-cluster catalysts for electrocatalytic nitrate reduction reaction
R Zhu, R Hu, H Wang, X Jiang, J Yu - Materials Today Sustainability, 2024 - Elsevier
Single cluster catalysts (SCCs) with high metal loading can exhibit extraordinary catalytic
activity in electrocatalytic reactions, but the rational design of active sites remains a …
activity in electrocatalytic reactions, but the rational design of active sites remains a …
Theoretical Study on Urea Synthesis from N2 and CO2 Catalyzed by Electrochemical Tandem Catalysis of CCFs Materials
Y Hou, L Guo, F Luo - Catalysis Surveys from Asia, 2023 - Springer
On account of the activation of N2 and the high-energy barrier of the competitive hydrogen
evolution reaction (HER), problems such as low Faraday efficiency, low urea yield, and slow …
evolution reaction (HER), problems such as low Faraday efficiency, low urea yield, and slow …
Conflict of Interest the Authors Declare that They Have No Conflict of Interest
Y Hou, L Guo, F Luo - Available at SSRN 4258054 - papers.ssrn.com
Binuclear metallic phthalocyanine has stronger electron holding capacity and a wider range
of π-electron systems than Mononuclear metallic phthalocyanine, which has great prospects …
of π-electron systems than Mononuclear metallic phthalocyanine, which has great prospects …