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Crystal-chemistry from XPS analysis of carbide-derived Mn+1AXn (n=1) nano-laminate compounds
Authors:MW BarsoumA Crossley  S Myhra
Institution:a Department of Materials Engineering, Drexel University, Philadelphia, PA 19104, USA
b AEA Technology Advanced Materials Centre, Begbroke Business and Science Park, Yarnton, Oxford OX5 1PF, UK
c School of Science, Griffith University, Nathan, Qld 4111, Australia
Abstract:The Mn+1AXn layered carbide/nitride-derived phases, where M is an early transition metal, A is an A-group element and X is N or C, have an unusual combination of mechanical, electrical and thermal properties. The surface and crystal-chemistries of several recently synthesized n=1 members have been investigated by X-ray photoelectron spectroscopy. The results show that the constituent species are characterized by low binding energies, sometimes exceptionally so. The C 1s energies are in the lower end of the range for carbides, at 281.1-282.0 eV. The M-species—Ti, V, Nb and Hf—have binding energies at or below those corresponding to the elemental metallic state. The binding energies of the A-species in apparent planar coordination—In, Ge, As and Al—are quite exceptional, being 0.5-2 eV below those corresponding to the elemental state. Those results suggest that screening of the A-group species is derived from out-of-plane interactions, while the XPS signatures of the species associated with the MX blocks are reminiscent of those obtained from the relevant carbide phases.
Keywords:A  Ceramics  B  Elements  C  Ab initio calculations
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