CH$_4$ and CO$_2$ Adsorption Mechanisms on Monolayer Graphenylene and their Effects on Optical and Electronic Properties
Fuente:
arXiv
Saved in:
| Main Authors: | Aligayev, A., Dominguez-Gutierrez, F. J., Chourashiya, M., Papanikolaou, S., Huang, Q. |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Dynamical pathways for the interaction of O2, H2O, CH4, and CO2 with a-alumina surfaces: Density functional tight-binding calculations
by: Dominguez-Gutierrez, F. J., et al.
Published: (2025)
by: Dominguez-Gutierrez, F. J., et al.
Published: (2025)
Dissociative Mechanism from NH3 and CH4 on Ni-Doped Graphene: Tuning Electronic and Optical Properties
by: Aligayev, A., et al.
Published: (2025)
by: Aligayev, A., et al.
Published: (2025)
Atomistic catalyst polarization stemming hydrogen generation from CH4
by: Wang, Sanmei, et al.
Published: (2024)
by: Wang, Sanmei, et al.
Published: (2024)
Strain-Enhanced Hydrogen Evolution, Electrical, Optical, and Thermoelectric Properties of the Multifunctional 2D CrSi2N4 Monolayer
by: Ahmad, Rao Uzair, et al.
Published: (2026)
by: Ahmad, Rao Uzair, et al.
Published: (2026)
Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes
by: Abdi, Gisya, et al.
Published: (2025)
by: Abdi, Gisya, 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)
Enhancing Electronic and Optical Properties of $α$-Fe$_2$O$_3$ by Introducing B, Y, and Nb Dopants for Improved Photoelectrochemical Water Splitting
by: Mamun, Abdul Ahad, et al.
Published: (2025)
by: Mamun, Abdul Ahad, et al.
Published: (2025)
Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory
by: Ye, Hong-Zhou, et al.
Published: (2023)
by: Ye, Hong-Zhou, et al.
Published: (2023)
Investigating CO Adsorption on Cu(111) and Rh(111) Surfaces Using Machine Learning Exchange-Correlation Functionals
by: Liang, Xinyuan, et al.
Published: (2025)
by: Liang, Xinyuan, et al.
Published: (2025)
Competitive Adsorption of Toluene and Water in MFI-type Zeolites
by: Arbiv, Gavriel, et al.
Published: (2025)
by: Arbiv, Gavriel, et al.
Published: (2025)
Ferroelectricity Driven by Orbital Resonance of Protons in CH$_3$NH$_3$Cl and CH$_3$NH$_3$Br
by: Peng, Chu Xin, et al.
Published: (2024)
by: Peng, Chu Xin, et al.
Published: (2024)
Cyanothiazole Copper(I) Complexes: Uncharted Materials with Exceptional Optical and Conductive Properties
by: Gutmańska, Karolina, et al.
Published: (2025)
by: Gutmańska, Karolina, et al.
Published: (2025)
Synthesis of Monolayer Ice on a Hydrophobic Metal Surface
by: Zhao, Qiaoxiao, et al.
Published: (2026)
by: Zhao, Qiaoxiao, et al.
Published: (2026)
Exploring the Electronic and Mechanical Properties of TPDH-Nanotube: Insights from Ab initio and Classical Molecular Dynamics Simulations
by: Quispe, Juan Gomez, et al.
Published: (2024)
by: Quispe, Juan Gomez, et al.
Published: (2024)
Enhanced Hydrogen Evolution Using $β$-MnO$_2$ Monolayer on Ni Electrode with Engineered Oxygen Vacancies
by: Rahman, Faysal, et al.
Published: (2025)
by: Rahman, Faysal, et al.
Published: (2025)
Adsorption energies are necessary but not sufficient to identify good catalysts
by: Chatterjee, Shahana, et al.
Published: (2025)
by: Chatterjee, Shahana, 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)
Chiral Porphyrin Monolayers on Ferromagnetic Thin Films: Ultrafast Spectroscopy of Hybrid Interfaces
by: Hauza, Karol, et al.
Published: (2026)
by: Hauza, Karol, et al.
Published: (2026)
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)
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)
Tuning Magnetic and Optical Properties in MnxZn1-xPS3 Single Crystals by the Alloying Composition
by: Harchol, Adi, et al.
Published: (2024)
by: Harchol, Adi, et al.
Published: (2024)
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)
Photoluminescence-Based Gas Sensing with MoS2 Monolayers
by: Ngo, Gia Quyet, et al.
Published: (2024)
by: Ngo, Gia Quyet, 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)
Alloy Informatics through Ab Initio Charge Density Profiles: Case Study of Hydrogen Effects in Face-Centered Cubic Crystals
by: Massa, Dario, et al.
Published: (2023)
by: Massa, Dario, et al.
Published: (2023)
Energy dependent Chemical Interface Damping induced by 1-Decanethiol Self-Assembled Monolayer on Au(111)
by: Pfeiffer, Maurice, et al.
Published: (2025)
by: Pfeiffer, Maurice, 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)
Monolayer Capping Provides Close to Optimal Resistance to Laser Dewetting of Au Films
by: Murray, Christopher P., et al.
Published: (2024)
by: Murray, Christopher P., et al.
Published: (2024)
Non-Markovian Effects in Quantum Rate Calculations of Hydrogen Diffusion with Electronic Friction
by: Trenins, George, et al.
Published: (2024)
by: Trenins, George, et al.
Published: (2024)
Tritium Separation from Gaseous 1,2,3H Isotopologue Mixtures by Selective Adsorption on Ag-Exchanged Zeolite Type Y
by: Becker, Alexandra, et al.
Published: (2025)
by: Becker, Alexandra, et al.
Published: (2025)
Picosecond lifetimes of hydrogen bonds in the halide perovskite CH$_3$NH$_3$PbBr$_3$
by: Garrote-Márquez, Alejandro, et al.
Published: (2024)
by: Garrote-Márquez, Alejandro, et al.
Published: (2024)
CO$_2$ Dissociative Sticking on Cu(110)
by: Gonzalez, Federico J., et al.
Published: (2025)
by: Gonzalez, Federico J., et al.
Published: (2025)
The Effect of Grain Size Distribution on the Defect Generation Mechanism of 0201 Passives
by: Patra, Swagatika, et al.
Published: (2024)
by: Patra, Swagatika, et al.
Published: (2024)
Adsorption of molecular hydrogen on honeycomb ZnO monolayers: A quantum density-functional theory perspective
by: Martinez-Mesa, Aliezer, et al.
Published: (2024)
by: Martinez-Mesa, Aliezer, et al.
Published: (2024)
Monitorization of the H-O Bond Flexibility
by: Sun, Chang Q
Published: (2025)
by: Sun, Chang Q
Published: (2025)
Adsorption energies and decomposition barrier heights for ethylene carbonate on the surface of lithium from cluster-based quantum chemistry
by: Vo, Ethan A., et al.
Published: (2026)
by: Vo, Ethan A., et al.
Published: (2026)
Predicting Methane Adsorption in Metal-Substituted MOFs: A Comparative Study between Density Functional Theory and Machine Learning
by: Aljamal, Karim, et al.
Published: (2025)
by: Aljamal, Karim, et al.
Published: (2025)
Effect of Halogen Substituents on Charge Transport Properties of n-type Organic Semiconductors: A Theoretical Study
by: Roosta, Sara, et al.
Published: (2024)
by: Roosta, Sara, et al.
Published: (2024)
Adsorption of ions from aqueous solutions by ferroelectric nanoparticles
by: Kalinin, Sergei V., et al.
Published: (2024)
by: Kalinin, Sergei V., et al.
Published: (2024)
Polyurethane-Inspired CO2 Chemisorbent: Ab Initio Reaction Profiles
by: Chaban, Vitaly V.
Published: (2025)
by: Chaban, Vitaly V.
Published: (2025)
Similar Items
-
Dynamical pathways for the interaction of O2, H2O, CH4, and CO2 with a-alumina surfaces: Density functional tight-binding calculations
by: Dominguez-Gutierrez, F. J., et al.
Published: (2025) -
Dissociative Mechanism from NH3 and CH4 on Ni-Doped Graphene: Tuning Electronic and Optical Properties
by: Aligayev, A., et al.
Published: (2025) -
Atomistic catalyst polarization stemming hydrogen generation from CH4
by: Wang, Sanmei, et al.
Published: (2024) -
Strain-Enhanced Hydrogen Evolution, Electrical, Optical, and Thermoelectric Properties of the Multifunctional 2D CrSi2N4 Monolayer
by: Ahmad, Rao Uzair, et al.
Published: (2026) -
Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes
by: Abdi, Gisya, et al.
Published: (2025)