Imagen de Portada

Atomistic Insights into the Degradation of Metal Phthalocyanine Catalysts during Oxygen Reduction Reaction

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Yang, Huanhuan, Luo, Guangfu
Formato:	Preprint
Publicado:	2025
Materias:	Materials Science
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Stabilizing Single-Atom Catalysts on Metastable Phases of Transition Metal Dichalcogenides
por: Wang, Lina, et al.
Publicado: (2025)

Exploration of Zeolites as High-Performance Electrode Protective Layers for Alkali-Metal Batteries
por: Wang, Lina, et al.
Publicado: (2025)

Stability by Design: Atomistic Insights into Hydrolysis-Driven MOF Degradation
por: Yacham, Ashok, et al.
Publicado: (2025)

Designing Bimetallic Nanoparticle Catalysts via Tailored Surface Segregation
por: Tang, Yaxin, et al.
Publicado: (2025)

Platinum-based Catalysts for Oxygen Reduction Reaction simulated with a Quantum Computer
por: Di Paola, Cono, et al.
Publicado: (2023)

Oxygen Reduction Reaction on Single-Atom Catalysts From Density Functional Theory Calculations Combined with an Implicit Solvation Model
por: Abidin, Azim Fitri Zainul, et al.
Publicado: (2024)

Harnessing Zn-Volatility for Compositional Tuning in PtZn Nanoalloy Catalysts
por: Yao, Bingqing, et al.
Publicado: (2024)

Challenges in the Theory and Atomistic Simulation of Metal Electrodeposition
por: Chaudhuri, Shayantan, et al.
Publicado: (2024)

Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations
por: Pols, Mike, et al.
Publicado: (2023)

Covalent Dangling of Poly‐Indium‐Phthalocyanine Over Carbon Nanopits as Superior Oxygen Reduction Catalyst for Flexible Zn‐Air Battery
por: Linjie Zhang, et al.
Publicado: (2025)

Atomistic-informed phase field modeling of magnesium twin growth by disconnections
por: Hu, Yang, et al.
Publicado: (2024)

Generalized Representative Structures for Atomistic Systems
por: Goff, James M., et al.
Publicado: (2024)

Identifying the Catalytic Descriptor of Single-Atom Catalysts in Nitrate Reduction Reaction: An Interpretable Machine-Learning Method
por: Zhu, Zhen, et al.
Publicado: (2025)

Neural Network-Driven Molecular Insights into Alkaline Wet Etching of GaN: Toward Atomistic Precision in Nanostructure Fabrication
por: Kim, Purun-hanul, et al.
Publicado: (2025)

Atomistic Modeling of Martensitic Phase Transition in Hexamethylbenzene
por: Fahim, Zarif, et al.
Publicado: (2025)

Uncertainty Quantification and Propagation in Atomistic Machine Learning
por: Dai, Jin, et al.
Publicado: (2024)

Spin Dynamics from Atomistic Quantum Simulations
por: Drigo, Enrico, et al.
Publicado: (2026)

Predicting Atomistic Transitions with Transformers
por: Tischler, Henry, et al.
Publicado: (2026)

Spin‐State Engineering of Iron Phthalocyanine D‐Orbitals via Atomic Fe‐N 4 Coupling for Enhanced Oxygen Reduction Reaction
por: Ze Lv, et al.
Publicado: (2025)

Atomistic study of dislocation formation during Ge epitaxy on Si
por: Martín-Encinar, Luis, et al.
Publicado: (2025)

Atomistic theory of the phonon angular momentum Hall effect
por: Lopez, Daniel A. Bustamante, et al.
Publicado: (2026)

Ferredoxin‐Inspired Design of S‐Synergized Fe–Fe Dual‐Metal Center Catalysts for Enhanced Electrocatalytic Oxygen Reduction Reaction
por: Ming Liu, et al.
Publicado: (2024)

Cascade Hydrogen Peroxide Reduction Reaction Endows Cu‐Fe Dual‐Atom Catalyst with Durable Oxygen Reduction Performance
por: Chenhong Liu, et al.
Publicado: (2025)

Harnessing AtomisticSkills for Agentic Atomistic Research
por: Deng, Bowen, et al.
Publicado: (2026)

Device-Scale Atomistic Simulations of Heat Transport in Advanced Field-Effect Transistors
por: Xu, Ke, et al.
Publicado: (2025)

Molecular Arrangements in the First Monolayer of Cu-Phthalocyanine on In$_2$O$_3$(111)
por: Blatnik, Matthias, et al.
Publicado: (2025)

Atomistic Insights into Cu/amorphous-Ta$_x$N Interfacial Adhesion via Machine Learning Interatomic Potentials: Effects of Stoichiometry and Interface Construction
por: Choi, Jeong Min, et al.
Publicado: (2025)

Atomistically informed phase field study of austenite grain growth
por: Suhane, Ayush, et al.
Publicado: (2025)

Stochastic Modeling of Anisotropic Strength Surfaces from Atomistic Simulations
por: Bonacci, Alexander, et al.
Publicado: (2026)

Uncertainty Quantification in Atomistic Simulations of Silicon using Interatomic Potentials
por: Best, I. R., et al.
Publicado: (2024)

Mechanical Properties of Au Coated Si Nanowafer: an Atomistic Study
por: Nahian, Shahriar, et al.
Publicado: (2020)

Atomistic modelling of all dislocations and twins in HCP and BCC Ti
por: Wen, Tongqi, et al.
Publicado: (2022)

Atomistic modeling of the hygromechanical properties of amorphous Polyamide 6,6
por: Gadelrab, Karim, et al.
Publicado: (2026)

Bridging Atomistic and Continuum Descriptions of Nanoscale Dislocation Loops in Tungsten
por: Lopez, Joseph Duque, et al.
Publicado: (2026)

Nucleation suppression by charge screening on grain boundaries: a kinetic model for bulk imprint in polycrystalline ferroelectric thin films
por: Tian, Huanhuan, et al.
Publicado: (2025)

Intrinsic threshold electric field for domain wall motion in ferroelectrics based on discretized phase-field model
por: Tian, Huanhuan, et al.
Publicado: (2024)

Atomistic modeling of diffusion processes at Al(Si)/Si(111) interphase boundaries obtained by vapor deposition
por: Li, Yang, et al.
Publicado: (2024)

Range-Separated Hybrid Functionals for Mixed-Dimensional Heterojunctions: Application to Phthalocyanines/MoS2
por: Zhou, Qunfei, et al.
Publicado: (2021)

Atomistic insight into the effects of solute and pressure on phase transformation in titanium alloys
por: Chen, Huicong, et al.
Publicado: (2025)

Atomistic Simulations of Cation Distribution and Defect Effects on the Performance of Substituted Ferrites
por: Li, Jiahao, et al.
Publicado: (2025)