:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Smirnov, Ilia, Kaszkur, Zbigniew, Ferrando, Riccardo
Format:	Preprint
Published:	2024
Subjects:	Materials Science Atomic and Molecular Clusters
Online Access:	https://arxiv.org/abs/2409.01254
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

General theory for packing icosahedral shells into multi-component aggregates
by: Canestrari, Nicolò, et al.
Published: (2024)

Formation and manipulation of diatomic rotors at the symmetry-breaking surfaces of kagome superconductors
by: Huang, Zihao, et al.
Published: (2024)

Non-equilibrium Molecular Dynamics Study of Surface Wettability Effects on Pool Boiling of Water over Nanoscale Aluminum Substrate
by: Sotoudeh, Farhad, et al.
Published: (2025)

Evolution of cavities in BCC-Fe with coexisting H and He under fusion environments
by: Wang, Jin, et al.
Published: (2025)

Electrically controlled nonvolatile switching of single-atom magnetism in a Dy@C84 single-molecule transistor
by: Wang, Feng, et al.
Published: (2024)

Theoretical design of nanocatalysts based on (Fe$_2$O$_3$)$_n$ clusters for hydrogen production from ammonia
by: Ibragimov, Sapajan, et al.
Published: (2024)

Structures and infrared spectroscopy of Au$_{10}$ cluster at different temperatures
by: Rojas-González, Francisco Eduardo, et al.
Published: (2024)

Accelerated structure-stability energy-free calculator
by: Boucher, Alexandre, et al.
Published: (2024)

Evaporation of cations from non-conductive nano-samples using single-cycle THz pulses: an experimental and theoretical study
by: De Tullio, Matteo, et al.
Published: (2024)

Crystalline and glassy tellurides of silicon
by: Bletskan, Dmytro
Published: (2025)

A Hartree-Fock Analysis of the Finite Jellium Model
by: Píro, Michael, et al.
Published: (2025)

Interpretable, Physics-Informed Learning Reveals Sulfur Adsorption and Poisoning Mechanisms in 13-Atom Icosahedra Nanoclusters
by: Monteiro, Raiane Ferreira, et al.
Published: (2026)

New opportunities for high pressure hydrogen achieved by fullerane vibrating modes: an ab initio study
by: Gebac, Leonard Constantin, et al.
Published: (2025)

Quantum spin excitations in a dual-core magnetic molecule
by: Li, Wenbin, et al.
Published: (2025)

Bilayer B80 Structure: High Stability and Experimental Support for Existence
by: Chen, Yi-Sha, et al.
Published: (2025)

Tailoring Heat Transfer at Silica-Water Interfaces via Hydroxyl and Methyl Surface Groups
by: Mandrolko, Viktor, et al.
Published: (2025)

Quantum Study of Dispersion-Corrected Electronic and Optical Properties of syn- and anti- B18H22 Clusters with/without Sulfur Doping for Tunable Optoelectronics
by: Abbas, Fakher, et al.
Published: (2026)

Activation entropy helps explain anomalous flow stress temperature dependence in copper
by: Nahavandian, Mohammadhossein, et al.
Published: (2025)

From Solution to Surface: Persistence of the Diradical Character of a Diindenoanthracene Derivative on a Metallic Substrate
by: Hieulle, Jeremy, et al.
Published: (2025)

Geometry-controlled competition between axis centering and detwinning in fivefold-twinned gold nanoparticles
by: Fasce, Silvia, et al.
Published: (2026)

Complete insensitivity to ab initio data -- A new perspective on modeling collision-induced absorption of noble gas atoms
by: Chandran, Nikhila Ambika, et al.
Published: (2025)

Temperature-dependent photoionization thresholds of alkali-metal nanoparticles reveal thermal expansion and the melting transition
by: Haridy, Abdelrahman O., et al.
Published: (2026)

Photoionization of temperature-controlled nanoparticles in a beam: Accurate and efficient determination of ionization energies and work functions
by: Sheekhoon, Atef A., et al.
Published: (2026)

σ/π character of H-bonding in water clusters
by: Bedniakov, Aleksandr S., et al.
Published: (2024)

Theoretical Study of C36 and O@C36 Fullerene Isomers with (C1, C2, Cs, D2, D3h) symmetries: Geometry Optimization, Electrical Properties and Spectroscopic Analysis
by: Aljneed, Fouad, et al.
Published: (2026)

ChatMOSP: A Chemistry-Grounded Mobile Agent for Working-State Catalyst Simulations
by: Ye, Sanyang, et al.
Published: (2026)

Curvature-Dependent Polarity of Interfacial Energy Flow in Functionalized CNT Polymer Nanocomposites: A Reactive Molecular Dynamics Perspective
by: Hasan, Mehedi, et al.
Published: (2025)

Development of an eReaxFF Force Field for BZY20 Solid Oxide Electrocatalysis
by: Hossain, Md Jamil, et al.
Published: (2023)

Physical spin torques from exactly constrained exchange-correlation torques
by: Desmarais, Jacques K., et al.
Published: (2025)

Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions
by: Liu, Baiqiang, et al.
Published: (2025)

Strain-Tunable Spin Filtering and Valley Splitting Coexisting with Anomalous Hall Effect in 2D Half-Metallic VSe2/VN Heterostructure: Toward a Unified Spintronic-Valleytronic Platform
by: Chowdhury, Vivek, et al.
Published: (2025)

3-Aminopropanol: polymolecular structures that determine unique solvation motifs
by: Novakovskaya, Yulia V.
Published: (2021)

Quantum Spin-1/2 Rings Built from [2]Triangulene Molecular Units
by: Li, Can, et al.
Published: (2026)

Melting, bubble-like expansion and explosion of superheated plasmonic nanoparticles
by: Dold, Simon, et al.
Published: (2023)

Alkaline earth metal mediated inter-molecular magnetism in perfluorocubane dimers and chains
by: Li, Zhuohang, et al.
Published: (2024)

Size-dependent second-order-like phase transitions in Fe nanocluster melting from low-temperature structural isomerization
by: Hoffenberg, Louis E. S., et al.
Published: (2024)

Interfacial Charge Transfer and Electronic Structure Modulation in Ultrathin Graphene P3HT Hybrid Heterostructures
by: Mater, Yosra, et al.
Published: (2025)

A versatile setup for studying size and charge-state selected polyanionic nanoparticles
by: Raspe, K., et al.
Published: (2022)

How Far Can You Grow? Characterizing the Extrapolation Frontier of Graph Generative Models for Materials Science
by: Polat, Can, et al.
Published: (2026)

Double electron resonance with two ensembles of nitrogen-vacancy centers in diamond
by: Chernyavskiy, A., et al.
Published: (2025)