Using calculations from first principles we show how specific interface modifications can lead to a fine-tuning of the doping and band alignment in epitaxial graphene on SiC. Upon different choices of dopants, we demonstrate that one can achieve a variation of the valence band offset between the graphene Dirac point and the valence band edge of SiC up to 1.5 eV. Finally, via appropriate magnetic doping one can induce a half-metallic behavior in the first graphene monolayer. These results clearly establish the potential for graphene utilization in innovative electronic and spintronic devices.
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http://dx.doi.org/10.1103/PhysRevLett.104.146801 | DOI Listing |
RSC Adv
January 2025
IMMM, Institut des Molécules et Matériaux du Mans Bd Charles Nicolle 72000 Le Mans France.
Samarium (Sm) modification is emerging as a powerful strategy to manipulate the electrical response of 0.8BiFeO-0.2BaTiO (BFBT) multiferroic ceramics.
View Article and Find Full Text PDFHeliyon
January 2025
Department of Physics, Isfahan University of Technology, Isfahan 84156-83111, Iran.
This paper presents the first-time synthesis of CoFe Co O nanoparticles (where x = 0.0, 0.1, 0.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Department of Chemistry, University of Manchester, Oxford Road, Manchester M13 9PL, UK.
An modelling workflow is used to predict the thermoelectric properties and figure of merit of the lanthanide cobalates LaCoO, PrCoO and NdCoO in the orthorhombic phase with the low-spin magnetic configuration. The LnCoO show significantly lower lattice thermal conductivity than the widely-studied SrTiO, due to lower phonon velocities, with a large component of the heat transport through an intraband tunnelling mechanism characteristic of amorphous materials. Comparison of the calculations to experimental measurements suggests the p-type electrical properties are significantly degraded by the thermal spin crossover, and materials-engineering strategies to suppress this could yield improved .
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
School of Chemistry & Chemical Engineering, South China University of Technology, Guangzhou 510640, P. R. China.
The hydrogenation of bicarbonate, a byproduct of CO captured in alkaline solutions, into formic acid (FA) using glycerol (GLY) as a hydrogen source offers a promising carbon-negative strategy for reducing CO emissions. While Pd-based catalysts are effective in this reaction, they often require high temperatures, leading to low FA yield due to strong hydrogen adsorption on Pd surfaces. In this work, metal-organic framework derived N-doped carbon encapsulated CoNi alloy nanoparticles (CoNi@NC) were prepared, acid-leached, and employed as a support to modulate the electronic structure of Pd-based catalysts.
View Article and Find Full Text PDFChem Soc Rev
January 2025
Department of Chemical and Biomolecular Engineering, National University of Singapore, 4 Engineering Drive 4, Singapore 117585, Singapore.
Solar-driven photocatalytic technology holds significant potential for addressing energy crisis and mitigating global warming, yet is limited by light absorption, charge separation, and surface reaction kinetics. The past several years has witnessed remarkable progress in optimizing photocatalysis electron spin control. This approach enhances light absorption through energy band tuning, promotes charge separation by spin polarization, and improves surface reaction kinetics strengthening surface interaction and increasing product selectivity.
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