The Journal of Physical Chemistry C · 2020 · 11 citations · 51 references
Natural SciencesMaterials EngineeringMaterials ScienceCondensed Matter PhysicsMaterials ChemistrySolid State PhysicsCarbon-based Energy MaterialsCrystalline MaterialsElectron-phonon InteractionsElectronic Band StructureElectronic Structure Of SolidsRaman SpectroscopyBoron IncorporationEnergy Dispersive X-ray SpectroscopyEnergy-dispersive X-ray SpectroscopyHydrogen Energy StorageLithium-ion BatteriesPhonon Dispersion RelationsPhonon Dispersion StudiesPhonon Scattering
Bulk turbostratic graphitic carbon of varying levels of disorder and chemical compositions has been synthesized by a direct synthesis method in the temperature range of 750–1100 °C, with a focus on boron incorporation within the graphitic lattice. The atomistic and electronic/vibrational structures were characterized by X-ray diffraction, energy-dispersive X-ray spectroscopy, Auger electron spectroscopy, X-ray absorption spectroscopy, and Raman spectroscopy. The phonon dispersion relation of graphitic carbon was found to be uniquely sensitive to substitutional boron doping, which perturbs the phonon structure while leaving the lattice structure unchanged. The dispersion relation of the D peak measured by Raman spectroscopy can be used to uniquely identify bulk graphitic materials containing a large content of ordered trigonal planar g-BC3 units, which are of high interest in applications ranging from hydrogen storage to lithium-ion batteries.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
F. Tuinstra, Jack L. Koenig · The Journal of Chemical Physics · 1970 · 10.6K citations
Natural Sciences, Materials Engineering, Materials Science +15