et al. Delocalization state-induced selective bond breaking for efficient methanol electrosynthesis from CO2. Nat Catal 6, 6–15 (2023). https://doi.org/10.1038/s41929-022-00887-z Download citation Received25 February 2022 Accepted25 October 2022 Published12 December 2022 Issue DateJanuary 2023 ...
& Hu, P. General rules for predicting where a catalytic reaction should occur on metal surfaces: a density functional theory study of C–H and C–O bond breaking/making on flat, stepped, and kinked metal surfaces. J. Am. Chem. Soc. 125, 1958–1967 (2003). Article Google Scholar ...
In this work, inspired by DFT calculation results that much lower energy is required to dissociate Ti-OH bond than Ti-O bond, we report a facile approach by simply calcining TiOx(OH)y precursor in inertia atmosphere, to effectively create oxygen vacancy in titania (Ti-N2-600). During CO2 ...
Delocalization state-induced selective bond breaking for efficient methanol electrosynthesis from CO2. Nat. Catal. 6, 6–15 (2022). Google Scholar García de Arquer, F. P. et al. CO2 electrolysis to multicarbon products at activities greater than 1 A cm−2. Science 367, 661–666 (...
It has a short C-O bond length of 0.116 nm and has the property of a partial triple bond. It also has a high bond energy (750 kJ/mol), and a huge energy input is required to break the C-O double bond. Overall, the CO2 molecule is chemically stable, with some thermodynamic ...
By integrating insights from molecular biology, synthetic biology, and environmental science, innovative approaches to tackling global climate challenges are proposed, with potential implications for sustainable energy production, agricultural productivity, and environmental stewardship. ...
The breaking of first C-H bond of ethylbenzene molecule is more favorable to take place through the radical mechanism. In the next C-H bond breaking, H can be captured by adjacent lattice oxygen and can also be captured by newly formed OH groups, they have almost the same reaction ...
temperature allows the local migration of one oxygen atom from the solid toward the adsorbed CO2 leading to its mineralization into carbonate (porous or non-porous layer) around the reacting particles; chemically the mineralization of CO2 also implies the breaking of one covalent bond in the CO2 ...
a, Chemical representation of the computed mechanisms.b, Representative structures showing the inner (adduct based) and outer (covalent bond breaking/making) mechanistic pathways. Atom colouring: C, grey; O, red; H, white; alkali metal, purple. Chemical transformation steps are indicated by numbere...
These charge rearrangements mainly result from the C–O1 bond breaking that causes charge transfer back to the C and O1 atom, respectively. Moreover, electron charge density is also donated by the Ni cluster to the C 2p orbital, albeit originating from Ni 4s orbitals instead. The 2p orbital...