arXiv subjects

Sadegh Ghaderzadeh

Publications and source records attributed to Sadegh Ghaderzadeh.

4 recordsLinked to original sources

arXiv2026

Bottom-up Synthesis of Metastable 2D Hexagonal Copper(I) Iodide on Monolayer and within Bilayer Graphene

Copper(I) iodide (CuI) is a wide-bandgap semiconductor crystallizing in the 3D $γ$-phase under ambient conditions; its layered van der Waals bulk phase $β$-CuI is stable only between 643 and 673 K. The two-dimensional (2D) h-CuI form has been obtained via liquid-phase exfoliation of mechanochemically prepared precursors and via encapsulation between graphene sheets, whereas bottom-up growth of 2D h-CuI on open surfaces has not yet been demonstrated. Here, we report a vapor-phase synthesis of h-CuI directly on low-defect, large-area monolayer and within bilayer reduced oxo-graphene (r-oxo-G) at low temperatures. Using a copper TEM grid as the solid-state precursor for copper, HI-vapor exposure at 40 $°$C initiates nucleation, while annealing at 180 $°$C promotes the growth of extended h-CuI domains. Aberration-corrected HRTEM resolves the atomic structure, local twist angles, and lattice anisotropy of the CuI/r-oxo-G nanohybrid, while STEM-EDX yields a Cu:I ratio consistent with 1:1. First-principles calculations show that van der Waals adhesion to graphene stabilizes the supported hexagonal layer. Under the presented low-temperature precursor conditions, pathways for nucleation of the $γ$-phase are not available, allowing the hexagonal phase to form selectively at the graphene interface. Ab initio molecular dynamics simulations show that the heterostructure retains its hexagonal lattice order at 600 K, including on an open monolayer graphene support. The lateral extent of the growth is limited mainly by remaining interfacial adsorbates. These results establish a route to metastable 2D h-CuI on a chemically inert graphene template, which may be useful for wide-bandgap electronic and optoelectronic devices.

cond-mat.mtrl-sci↗

arXiv2026

Static heterogeneity generates apparent universality in first-passage bursty dynamics

Processes involving bursts of activity separated by quiescent periods occur across diverse systems and scales. In human dynamics, these phenomena have been described by power-law inter-event time distributions, $P(t)\sim t^{-α}$, with putative universality classes $α=1$ and $α=\frac{3}{2}$ having been proposed. Whether the observed $α= 1$ scaling reflects intrinsic scale-free dynamics or instead emerges from heterogeneous underlying rates has been debated at length. We address this question in a canonical physical system for first-passage dynamics: two-dimensional molecular diffusion detected by the tip of a scanning tunnelling microscope. The resulting inter-pulse time distributions exhibit the same apparent truncated power-law form reported for human activities such as email communication, web browsing, and library loans. Maximum-likelihood estimation and model comparison decisively favor a Kohlrausch-Williams-Watts--tempered power law, $P(t)\propto t^{-α}\exp\left(-(t/t_c)^β\right)$, with $α\sim 1$. Kinetic Monte Carlo simulations reproduce this behavior, showing that the apparent $α\sim 1$ scaling is confined to a finite time window and arises from tip-induced spatial heterogeneity, not scale invariance.

cond-mat.other↗

arXiv2025

Stabilisation of hBN/SiC Heterostructures with Vacancies and Transition-Metal Atoms

When two-dimensional atomic layers of different materials are brought into close proximity to form van der Waals (vdW) heterostructures, interactions between adjacent layers significantly influence their physicochemical properties. These effects seem particularly pronounced when the interface exhibits local order and near-perfect structural alignment, leading to the emergence of Moiré patterns. Using quantum mechanical density functional theory calculations, we propose a prototypical bilayer heterostructure composed of hexagonal boron nitride (hBN) and silicon carbide (SiC), characterized by a lattice mismatch of 18.77\% between their primitive unit cells. We find that the removal of boron atoms from specific lattice sites can convert the interlayer interaction from weak vdW coupling to robust localized silicon-nitrogen covalent bonding. Motivated by this, we study the binding of transition-metal adatoms and formulate design guidelines to enhance surface reactivity, thereby enabling the controlled isolation of single-metal atoms. Our machine-learning-assisted molecular dynamics simulations confirm both dynamical stability and metal anchoring feasibility at finite temperatures. Our results suggest the hBN/SiC heterostructure as a versatile platform for atomically precise transition-metal functionalization, having potential for next-generation catalytic energy-conversion technologies.

cond-mat.mtrl-sci↗

arXiv2025

Timing the Escape of a Caged Electron

Charge transfer is fundamentally dependent on the overlap of the orbitals comprising the transport pathway. This has key implications for molecular, nanoscale, and quantum technologies, for which delocalization (and decoherence) rates are essential figures of merit. Here, we apply the core hole clock technique - an energy-domain variant of ultrafast spectroscopy - to probe the delocalization of a photoexcited electron inside a closed molecular cage, namely the Ar 2p54s1 state of Ar@C60. Despite marginal frontier orbital mixing in the ground configuration, almost 80% of the excited state density is found outside the buckyball due to the formation of a markedly diffuse hybrid orbital. Far from isolating the intracage excitation, the surrounding fullerene is instead a remarkably efficient conduit for electron transfer: we measure characteristic delocalization times of 6.6 $\pm$ 0.3 fs and $\lesssim$ 500 attoseconds, respectively, for a 3D Ar@C60 film and a 2D monolayer on Ag(111).

physics.chem-ph↗