Quasi-Covalently Coupled Ni-Cu Atomic Pair for Synergistic Electroreduction of CO2.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c00937
Abstract: Developing highly active, selective, and stable electrocatalysts for the carbon dioxide reduction reaction (CO2RR) is crucial to establish a CO2 conversion system for industrial implementation and, therefore, to realize an artificially closed carbon loop. This… read more here.
Keywords: covalently coupled; quasi covalently; atomic pair; co2 ... See more keywords
Atomic-pair theorem for universal matrix representatives of molecules and atomic clusters in non-relativistic Born-Oppenheimer approximation
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Mathematical Physics"
DOI: 10.1063/1.5012528
Abstract: The mathematical underpinnings of a universal atomic-pair based approach to ab initio calculations of the electronic wave functions and energies of molecules and other atomic clusters are reported in non-relativistic Born-Oppenheimer approximation. The general approach… read more here.
Keywords: molecules atomic; born oppenheimer; atomic pair; atomic clusters ... See more keywords
Validation of non-negative matrix factorization for rapid assessment of large sets of atomic pair distribution function data
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Applied Crystallography"
DOI: 10.1107/s160057672100265x
Abstract: The use of the non-negative matrix factorization (NMF) technique is validated for automatically extracting physically relevant components from atomic pair distribution function (PDF) data from time-series data such as in situ experiments. The use of… read more here.
Keywords: matrix factorization; atomic pair; pair distribution; factorization ... See more keywords