Relating X-ray photoelectron spectroscopy data to chemical bonding in MXenes
2021; Royal Society of Chemistry; Volume: 3; Issue: 10 Linguagem: Inglês
10.1039/d0na01033b
ISSN2516-0230
AutoresNéstor García‐Romeral, Masoomeh Keyhanian, Ángel Morales‐García, Francesc Illas,
Tópico(s)Advanced Memory and Neural Computing
ResumoThe relationship between core level binding energy shifts (ΔCLBEs), that can be experimentally determined by X-ray photoelectron spectroscopy, and chemical bonding is analyzed for a series of MXenes, a new family of two-dimensional materials with a broad number of applications in nanotechnology. Based on first-principles calculations, the atomic and electronic structure of bare and O-terminated carbide MXene with M
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