Concepedia

Tuning intermediates' adsorption for efficient electrosynthesis of urea from carbon dioxide and nitrate <i>via</i> doping Au into Cu

Yangfan Song, Yong Zhang, Xinyi Yang, Yiran Guo, Meiqin Xu, Guozhu Gao, Feifei Chen, Feng Lu, Hong Dong, Hui Liu,

Journal of Materials Chemistry A · 2025 · 15 citations · 49 references

DOI

Concepts

Abstract

Gold doping engineering was proposed to balance the adsorption of CO and NO on the catalyst surface, thereby promoting C–N coupling to form urea.

References

49

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

<i>Ab initio</i>molecular dynamics for open-shell transition metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 8.2K citations

, , +14

Unveiling the Activity Origin of a Copper‐based Electrocatalyst for Selective Nitrate Reduction to Ammonia

Yuting Wang, Wei Zhou, Ranran Jia et al. · Angewandte Chemie International Edition · 2020 · 1.6K citations

, , +15