Preprint Concept Paper Version 1 Preserved in Portico This version is not peer-reviewed

Towards Mapping Chemical Bonds in Nanostructured Materials

Version 1 : Received: 31 May 2021 / Approved: 2 June 2021 / Online: 2 June 2021 (12:19:23 CEST)

How to cite: Nakashima, P.N.H.; Peng, D.; Tan, X.; Mortazavi, A.N.; Liu, T.; Etheridge, J.; Bourgeois, L.; Clarke, D.R. Towards Mapping Chemical Bonds in Nanostructured Materials. Preprints 2021, 2021060075 (doi: 10.20944/preprints202106.0075.v1). Nakashima, P.N.H.; Peng, D.; Tan, X.; Mortazavi, A.N.; Liu, T.; Etheridge, J.; Bourgeois, L.; Clarke, D.R. Towards Mapping Chemical Bonds in Nanostructured Materials. Preprints 2021, 2021060075 (doi: 10.20944/preprints202106.0075.v1).

Abstract

We introduce a number of techniques in quantitative convergent-beam electron diffraction under development by our group and discuss the basis for measuring interatomic electrostatic potentials (and therefore also electron densities), localised at sub-nanometre scales, with sufficient accuracy and precision to map chemical bonds in and around nanostructures in nanostructured materials. This has never before been possible as experimental measurements of bonding in quantum crystallography have hitherto always been restricted to homogeneous single-phased crystals.

Subject Areas

Chemical bonding; nanostructured materials; electron diffraction; quantum crystallography; QCBED; Density Functional Theory; QCBED-DFT

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