Buchumschlag

Regional chemical potential analysis for material surfaces

Fuente: arXiv

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Fukuda, Masahiro, Senami, Masato, Sugimoto, Yoshiaki, Ozaki, Taisuke
Format:	Preprint
Veröffentlicht:	2025
Schlagworte:	Materials Science Chemical Physics
Online-Zugang:	Acceder al recurso
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge

Atomic observation on diamond (001) surfaces with non-contact atomic force microscopy
von: Zhang, Runnan, et al.
Veröffentlicht: (2024)

Unifying the description of hydrocarbons and hydrogenated carbon materials with a chemically reactive machine learning interatomic potential
von: Ibragimova, Rina, et al.
Veröffentlicht: (2024)

Enhancement of the molecular electron chirality by electronic excitation
von: Kuroda, Naoya, et al.
Veröffentlicht: (2024)

Exceptional Alkaline Methanol Electrooxidation on Bi-modified Pt3M Intermetallics: Kinetic Origins and an OH Binding Energy Descriptor
von: Liang, Lecheng, et al.
Veröffentlicht: (2025)

Antisymmetry rules of response properties in certain chemical spaces
von: Shiraogawa, Takafumi, et al.
Veröffentlicht: (2025)

Ab initio surface chemistry with chemical accuracy
von: Ye, Hong-Zhou, et al.
Veröffentlicht: (2023)

Photoemission Spectroscopy on photoresist materials: A protocol for analysis of radiation sensitive materials
von: Sajjadian, Faegheh S., et al.
Veröffentlicht: (2024)

Materials Properties Prediction (MAPP): Empowering the prediction of material properties solely based on chemical formulas
von: Xue, Si-Da, et al.
Veröffentlicht: (2023)

A foundation machine learning potential with polarizable long-range interactions for materials modelling
von: Gao, Rongzhi, et al.
Veröffentlicht: (2024)

Superionic surface Li-ion transport in carbonaceous materials
von: Zhou, Jianbin, et al.
Veröffentlicht: (2024)

An accurate and efficient framework for modelling the surface chemistry of ionic materials
von: Shi, Benjamin X., et al.
Veröffentlicht: (2024)

Crystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials
von: Takahara, Izumi, et al.
Veröffentlicht: (2024)

A chemical language model for reticular materials design
von: Menon, Dhruv, et al.
Veröffentlicht: (2026)

Learning simple heuristic rules for classifying materials based on chemical composition
von: Ma, Andrew, et al.
Veröffentlicht: (2025)

Observation and control of potential-dependent surface state formation at a semiconductor-electrolyte interface via the optical anisotropy
von: Flieg, Marco, et al.
Veröffentlicht: (2025)

PET-MAD, a lightweight universal interatomic potential for advanced materials modeling
von: Mazitov, Arslan, et al.
Veröffentlicht: (2025)

Stochastic Collision Theory of Magnetism in Radical Fluids
von: Uchida, Yoshiaki, et al.
Veröffentlicht: (2026)

Impact of electron beam propagation on high-resolution quantitative chemical analysis of 1 nm-wide GaN/AlGaN quantum wells
von: Castioni, Florian, et al.
Veröffentlicht: (2025)

A foundation model for atomistic materials chemistry
von: Batatia, Ilyes, et al.
Veröffentlicht: (2023)

Enhanced quantum transport in bilayer two-dimensional materials
von: Campos-Martínez, José, et al.
Veröffentlicht: (2025)

Narrowing band gap chemically and physically: Conductive dense hydrocarbon
von: Nakagawa, Takeshi, et al.
Veröffentlicht: (2024)

Towards chemical accuracy for chemi- and physisorption with an efficient density functional
von: Kothakonda, Manish, et al.
Veröffentlicht: (2024)

Predicting band gap from chemical composition: A simple learned model for a material property with atypical statistics
von: Ma, Andrew, et al.
Veröffentlicht: (2025)

More is different: How chemical complexity influences stability in high entropy oxides
von: Khoroshun, Ksenia, et al.
Veröffentlicht: (2025)

Microscale chemical imaging to characterize and quantify corrosion processes at the metal-electrolyte interface
von: Albert, Cristhiana C., et al.
Veröffentlicht: (2024)

Determining the chemical composition of diamagnetic mixed solids via measurements of the magnetic susceptibility
von: Zhao, Miao Miao, et al.
Veröffentlicht: (2024)

Building high-energy silicon-containing batteries using off-the-shelf materials
von: Rodrigues, Marco-Tulio F., et al.
Veröffentlicht: (2025)

Assessment of the synthetic feasibility of hypothetical zeolite-like materials based on ZeoNet
von: Liu, Yachan, et al.
Veröffentlicht: (2026)

Machine learned potential for defected single layer hexagonal boron nitride
von: Janisch, John, et al.
Veröffentlicht: (2025)

The effects of dispersion damping and three-body interactions for accurate layered-material exfoliation energies
von: Rumson, Adrian F., et al.
Veröffentlicht: (2026)

Bridging classical and quantum interpretation of chemical state analysis by XPS/HAXPES to resolve short-range order in amorphous alumina films
von: Gramatte, Simon, et al.
Veröffentlicht: (2024)

Unveiling Zn incorporation in CuInS$_2$ quantum dots: X-ray and optical analysis of doping effects, structural modifications and surface passivation
von: Burgos-Caminal, Andrés, et al.
Veröffentlicht: (2025)

Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
von: Mahmoud, Chiheb Ben, et al.
Veröffentlicht: (2025)

Foundations of the ionization potential condition for localized electron removal in density functional theory
von: Ohad, Guy, et al.
Veröffentlicht: (2025)

Reaction dynamics of lithium-mediated electrolyte decomposition using machine learning potentials
von: Kundu, Sohang, et al.
Veröffentlicht: (2025)

Weiner's theory for exactly solvable Schrödinger equation with symmetric double well potential
von: Sitnitsky, A. E.
Veröffentlicht: (2026)

Molecular electrostatic potentials from machine learning models for dipole and quadrupole predictions
von: Muuga, Kadri, et al.
Veröffentlicht: (2026)

Errors that matter: Uncertainty-aware universal machine-learning potentials calibrated on experiments
von: Kellner, Matthias, et al.
Veröffentlicht: (2026)

Solvated electrons in polar liquids as epsilon-near-zero materials tunable in the terahertz frequency range
von: Runge, Matthias, et al.
Veröffentlicht: (2025)

Inverse-design of two-dimensional magnonic crystals via topology optimization with frequency-domain micromagnetics
von: Nagaoka, Ryunosuke, et al.
Veröffentlicht: (2026)