Highly Efficient Removal of Thorium in Strong HNO3 Media Using a Novel Polymer Adsorbent Bearing a Phosphonic Acid Ligand: A Combined Experimental and Density Functional Theory Study

2019 ◽  
Vol 11 (27) ◽  
pp. 24512-24522 ◽  
Author(s):  
Dingzhong Yuan ◽  
Shiao Zhang ◽  
Zhihao Xiang ◽  
Yan He ◽  
Yun Wang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Phosphonic Acid ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Efficient Removal ◽  
Functional Theory ◽  
Highly Efficient ◽  
Acid Ligand ◽  
Polymer Adsorbent

Mo-based 2D MOF as a highly efficient electrocatalyst for reduction of N2 to NH3: a density functional theory study

2019 ◽  
Vol 7 (24) ◽  
pp. 14510-14518 ◽  
Author(s):  
Qianyi Cui ◽  
Gangqiang Qin ◽  
Weihua Wang ◽  
Geethalakshmi K. R. ◽  
Aijun Du ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Reduction Reaction ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Highly Efficient ◽  
Low Overpotential

A Mo-based MOF is an efficient electrocatalyst for the N2 reduction reaction with a low overpotential of 0.18 V.

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