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We theoretically investigate the electron transport in armchair and zigzag graphene nanoribbons (GNRs) chemically functionalized withp-polyphenyl and polyacene groups of increasing length. Our nearest-neighbor tight-binding calculations indicate that, depe ...
The research on layered van der Waals (vdW) magnets is rapidly progressing owing to exciting fundamental science and potential applications. In bulk crystal form, CrCl3 is a vdW antiferromagnet with in-plane ferromagnetic ordering below 17K, and CrI3 is a ...
This Thesis is mainly devoted to the exploration of the structural disorder and magnetic order in two-dimensional crystals by means of first-principles methodologies.Firstly, we present a comparative study of defect formation in the semiconducting 2H and ...
EPFL2020
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The success of all-graphene electronics is severely hindered by the challenging realization and subsequent integration of semiconducting channels and metallic contacts. Here, we comprehensively investigate the electronic transport across width-modulated he ...
AMER PHYSICAL SOC2020
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Applying elastic deformation can tune a material's physical properties locally and reversibly. Spatially modulated lattice deformation can create a bandgap gradient, favoring photogenerated charge separation and collection in optoelectronic devices. These ...
AMER CHEMICAL SOC2020
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Atomic-scale disorder in two-dimensional transition metal dichalcogenides is often accompanied by local magnetic moments, which can conceivably induce long-range magnetic ordering into intrinsically non-magnetic materials. Here, we demonstrate the signatur ...
2020
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We unveil the nature of the structural disorder in bottom-up zigzag graphene nanoribbons along with its effect on the magnetism and electronic transport on the basis of scanning probe microscopies and first-principles calculations. We find that edge-missin ...
The marked interplay between the crystalline, electronic, and magnetic structure of atomically thin magnets has been regarded as the key feature for designing next-generation magneto-optoelectronic devices. In this respect, a detailed understanding of the ...
The family of atomically thin magnets holds great promise for a number of prospective applications in magneto-optoelectronics, with CrI3 arguably being its most prototypical member. However, the formation of defects in this system remains unexplored to dat ...
Atomically thin films of layered chromium triiodide (CrI3) have recently been regarded as suitable candidates for a wide spectrum of technologically relevant applications, mainly owing to the opportunities they offer for achieving a reversible transition b ...