Saved in:
| Main Authors: | Sun, Chen, Xuan, Yimin |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2508.12262 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Machine Learning, Density Functional Theory, and Experiments to Understand the Photocatalytic Reduction of CO$_2$ by CuPt/TiO$_2$
by: Sumaria, Vaidish, et al.
Published: (2024)
by: Sumaria, Vaidish, et al.
Published: (2024)
Chiral Phonons Enhance Ferromagnetism
by: Fransson, Jonas, et al.
Published: (2024)
by: Fransson, Jonas, et al.
Published: (2024)
Singlet Fission among two Single Molecules
by: Paul, Sumanta, et al.
Published: (2025)
by: Paul, Sumanta, et al.
Published: (2025)
Multiple Adsorption of CO Molecules on Transition Metal Substitutional Impurities in Copper Surfaces
by: Christiansen, Magnus A. H., et al.
Published: (2025)
by: Christiansen, Magnus A. H., et al.
Published: (2025)
Advancing C-C Coupling of Electrocatalytic CO2 Reduction Reaction for C2+ Products
by: Liang, Guangyuan, et al.
Published: (2025)
by: Liang, Guangyuan, et al.
Published: (2025)
Unveiling the Role of Lewis Base Strength in Small-Molecule Passivation of Defect Perovskites
by: Wu, Yi-Chen, et al.
Published: (2024)
by: Wu, Yi-Chen, et al.
Published: (2024)
Chiral Vibrational Modes in Small Molecules
by: Feng, Jichen, et al.
Published: (2025)
by: Feng, Jichen, et al.
Published: (2025)
Evaluating First-Principles Electron-Phonon Couplings: Consistency Across Methods and Implementations
by: Merkel, Konrad, et al.
Published: (2025)
by: Merkel, Konrad, et al.
Published: (2025)
Influence Functional Approach to Non-Perturbative Exciton Binding Renormalization from Phonons
by: Rana, Rohit, et al.
Published: (2026)
by: Rana, Rohit, et al.
Published: (2026)
Machine Learned Potential for High-Throughput Phonon Calculations of Metal-Organic Frameworks
by: Elena, Alin Marin, et al.
Published: (2024)
by: Elena, Alin Marin, et al.
Published: (2024)
Coherent Phonons, Localization and Slow Polaron Formation in Lead-free Gold Perovskite
by: Ramesh, Sankaran, et al.
Published: (2024)
by: Ramesh, Sankaran, et al.
Published: (2024)
The Role of THz Phonons in the Ionic Conduction Mechanism of $Li_7La_3Zr_2O_{12}$ Polymorphs
by: Lin, Amy K., et al.
Published: (2025)
by: Lin, Amy K., et al.
Published: (2025)
Third-Body Stabilization of Supercritical CO2 in CO Oxidation: Development and Application of a ReaxFF Force Field for the CO/O/CO2 System
by: Chowdhury, Emdadul Haque, et al.
Published: (2025)
by: Chowdhury, Emdadul Haque, et al.
Published: (2025)
Strong Raman Optical Activity and Chiral Phonons in Chiral Hybrid Organic-Inorganic Perovskites
by: Muller, Evan W., et al.
Published: (2025)
by: Muller, Evan W., et al.
Published: (2025)
Microheterogeneity and Single-Molecule Mixture Science: An Introduction
by: Tang, Yu
Published: (2024)
by: Tang, Yu
Published: (2024)
Quasi-Particle Self-Consistent $GW$ for Molecules
by: Kaplan, F., et al.
Published: (2024)
by: Kaplan, F., et al.
Published: (2024)
Noise Reduction of Stochastic Density Functional Theory for Metals
by: Vu, Jake P., et al.
Published: (2024)
by: Vu, Jake P., et al.
Published: (2024)
Mechanistic Origin of Charge Separation and Enhanced Photocatalytic Activity in D-$π$-A-Functionalized UiO-66-NH$_2$ MOFs
by: Kultaeva, Anastasiia, et al.
Published: (2025)
by: Kultaeva, Anastasiia, et al.
Published: (2025)
Scattering of CO from Vacant-MoSe$_2$ with O Adsorbates: Is CO$_2$ Formed?
by: Bombín, Raúl, et al.
Published: (2024)
by: Bombín, Raúl, et al.
Published: (2024)
On the electrochemical CO2 reduction by Bi-based catalysts: single crystals or mixture phases
by: Zhou, Mengting, et al.
Published: (2024)
by: Zhou, Mengting, et al.
Published: (2024)
The Wetting of H$_2$O by CO$_2$
by: Brookes, Samuel G. H., et al.
Published: (2024)
by: Brookes, Samuel G. H., et al.
Published: (2024)
Strong Coupling of Self-Trapped Excitons to Acoustic Phonons in Bismuth Perovskite $\textrm{Cs}_{3}\textrm{Bi}_{2}\textrm{I}_{9}$
by: He, Xing, et al.
Published: (2022)
by: He, Xing, et al.
Published: (2022)
A Computational Study of Organic Molecular Crystals for Photocatalytic Water Splitting
by: Green, James D., et al.
Published: (2026)
by: Green, James D., et al.
Published: (2026)
CO2 adsorption mechanisms in hydrated silica nanopores: Insights from grand canonical Monte Carlo to classical and ab initio molecular dynamics
by: Shi, Jihong, et al.
Published: (2025)
by: Shi, Jihong, et al.
Published: (2025)
CO$_2$ Dissociative Sticking on Cu(110)
by: Gonzalez, Federico J., et al.
Published: (2025)
by: Gonzalez, Federico J., et al.
Published: (2025)
Insights into $CO_{2}$ activation on defective ZnS surfaces
by: de Oliveira, P. R. A, et al.
Published: (2026)
by: de Oliveira, P. R. A, et al.
Published: (2026)
SITH: A Quantum-Chemical Framework for Predicting Bond Destabilization in Stretched Molecules
by: Sucerquia, Daniel, et al.
Published: (2026)
by: Sucerquia, Daniel, et al.
Published: (2026)
Silk-Nano-Fibroin Aerogels: A Bio-Derived, Amine-Rich Platform for Rapid and Reversible CO2 Capture
by: Sheikh, Md Sariful, et al.
Published: (2025)
by: Sheikh, Md Sariful, et al.
Published: (2025)
Impacts of Hot Electron Diffusion, Electron-Phonon Coupling, and Surface Atoms on Metal Surface Dynamics Revealed by Reflection Ultrafast Electron Diffraction
by: He, Xing, et al.
Published: (2024)
by: He, Xing, et al.
Published: (2024)
Spin-polarized chiral ZnIn2S4 for targeted solar-driven CO2 reduction to acetic acid
by: Cui, Yongping, et al.
Published: (2025)
by: Cui, Yongping, et al.
Published: (2025)
Visible-Light Photocatalytic Degradation of Cresols using Sustainable 3D-Printed Bi4O5I2-Hematite Scaffold
by: Rawat, Akash, et al.
Published: (2025)
by: Rawat, Akash, et al.
Published: (2025)
Nonlocal Machine-Learned Exchange Functional for Molecules and Solids
by: Bystrom, Kyle, et al.
Published: (2023)
by: Bystrom, Kyle, et al.
Published: (2023)
Vibrational Spectra of Materials and Molecules from Partially-Adiabatic Elevated-Temperature Centroid Molecular Dynamics
by: Castro, Jorge, et al.
Published: (2025)
by: Castro, Jorge, et al.
Published: (2025)
Polyurethane-Inspired CO2 Chemisorbent: Ab Initio Reaction Profiles
by: Chaban, Vitaly V.
Published: (2025)
by: Chaban, Vitaly V.
Published: (2025)
Gas-solid Reaction Dynamics on Li$_6$PS$_5$Cl Surfaces: A Case Study of the Influence of CO$_2$ and CO$_2$/O$_2$ Atmospheres Using AIMD and MLFF Simulations
by: Li, Zicun, et al.
Published: (2025)
by: Li, Zicun, et al.
Published: (2025)
The Role of Superlattice Phonons in Charge Localization Across Quantum Dot Arrays
by: Hou, Bokang, et al.
Published: (2024)
by: Hou, Bokang, et al.
Published: (2024)
Spin State versus Potential of Zero Charge as Predictors of Density-Dependent Oxygen Reduction in M-N-C Electrocatalysts
by: Zhang, Di, et al.
Published: (2026)
by: Zhang, Di, et al.
Published: (2026)
Using Partial Structure R1 to Determine Small-Molecule Crystal Structures at the Lowest Resolution Limits
by: Zhang, Xiaodong
Published: (2024)
by: Zhang, Xiaodong
Published: (2024)
Demonstrating Electrochemical CO$_2$ Capture on Redox-Active Metal-Organic Frameworks
by: Vetik, Iuliia, et al.
Published: (2024)
by: Vetik, Iuliia, et al.
Published: (2024)
Impact of Subsurface Oxygen on CO2 Charging Energy Changes in Cu Surfaces
by: Lei, Xiaohe, et al.
Published: (2024)
by: Lei, Xiaohe, et al.
Published: (2024)
Similar Items
-
Machine Learning, Density Functional Theory, and Experiments to Understand the Photocatalytic Reduction of CO$_2$ by CuPt/TiO$_2$
by: Sumaria, Vaidish, et al.
Published: (2024) -
Chiral Phonons Enhance Ferromagnetism
by: Fransson, Jonas, et al.
Published: (2024) -
Singlet Fission among two Single Molecules
by: Paul, Sumanta, et al.
Published: (2025) -
Multiple Adsorption of CO Molecules on Transition Metal Substitutional Impurities in Copper Surfaces
by: Christiansen, Magnus A. H., et al.
Published: (2025) -
Advancing C-C Coupling of Electrocatalytic CO2 Reduction Reaction for C2+ Products
by: Liang, Guangyuan, et al.
Published: (2025)