Publications by Michele Pizzochero

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Beyond the second row of the periodic table, the nature of the multiple bonds between the elements of the main groups remains yet elusive, and "non-classical" bonding schemes are often invoked for their description. Here, focusing on group 14, we have perf ...

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 ...

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 ...

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 ...

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 ...

A transient state of the excess electron in liquid water preceding the development of the solvation shell, the so-called wet electron, has been invoked to explain spectroscopic observations, but its binding energy and atomic structure have remained highly ...

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 ...

On-surface synthesis has recently emerged as an effective route towards the atomically precise fabrication of graphene nanoribbons (GNRs) of controlled topologies and widths. However, whether and to what degree structural disorder occurs in the resulting s ...

We report the creation and manipulation of structural phase boundaries in the single-layer quantum spin Hall insulator 1T'-WSe2 by means of scanning tunneling microscope tip pulses. We observe the formation of one-dimensional interfaces between topological ...

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 ...

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 ...

Hydrogenation of free-standing silicene, the two-dimensional allotrope of silicon, is investigated in detail using first-principles methods and compared with the adsorption of H atoms on graphene. Similarly to graphene, chemisorption of a single H atom on ...

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 ...

Michele Pizzochero

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To bend or not to bend, the dilemma of multiple bonds

Structural Disorder and Magnetic Order in Atomically Thin Crystals

Structural Phase Transition and Bandgap Control through Mechanical Deformation in Layered Semiconductors 1T-ZrX2 (X = S, Se)

Edge Disorder in Bottom-Up Zigzag Graphene Nanoribbons: Implications for Magnetism and Quantum Electronic Transport

Inducing Magnetic Phase Transitions in Monolayer CrI3 via Lattice Deformations

Picture of the wet electron: a localized transient state in liquid water

Electronic transport across quantum dots in graphene nanoribbons: Toward built-in gap-tunable metal-semiconductor-metal heterojunctions

Quantum electronic transport across 'bite' defects in graphene nanoribbons

Manipulating Topological Domain Boundaries in the Single-Layer Quantum Spin Hall Insulator 1T '-WSe2

Magnetic exchange interactions in monolayer CrI3 from many-body wavefunction calculations

Even-odd conductance effect in graphene nanoribbons induced by edge functionalization with aromatic molecules: basis for novel chemosensors

Hydrogen on silicene: like or unlike graphene?

Atomic-scale defects in the two-dimensional ferromagnet CrI3 from first principles