Cargando…

First-Principles Study of Nitrogen Adsorption and Dissociation on ZrMnFe(110) Surface

The adsorption, dissociation and penetration processes of N(2) on the surface of ZrMnFe(110) were investigated using the first-principles calculation method in this paper. The results indicate that the vacancy Hollow 1 composed of 4Zr1Fe on the surface of ZrMnFe(110) is the best adsorption site for...

Descripción completa

Detalles Bibliográficos
Autores principales:	Yang, Qiaobin, Zeng, Fanhao, Chen, Meiyan, Dai, Yu, Gao, Yafang, Huang, Rui, Gu, Yi, Song, Jiangfeng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10179308/ https://www.ncbi.nlm.nih.gov/pubmed/37176205 http://dx.doi.org/10.3390/ma16093323

Ejemplares similares

Enhancing Methane Removal Efficiency of ZrMnFe Alloy by Partial Replacement of Fe with Co
por: Chen, Shumei, et al.
Publicado: (2023)

First-Principles Study of Nitrogen Adsorption and Dissociation on PuH(2) (111) Surface
por: Wang, Changshui, et al.
Publicado: (2020)

Adsorption of NO(x) (x = 1, 2) Molecules on the CoFeMnSi(001) Surface: First-Principles Insights
por: Mushtaq, Muhammad, et al.
Publicado: (2023)

Theoretical study on NO(x) adsorption properties over the α-MnO(2)(110) surface
por: Hao, Xingguang, et al.
Publicado: (2020)

Electronic and Magnetic Properties of Building Blocks of Mn and Fe Atomic Chains on Nb(110)
por: Lászlóffy, András, et al.
Publicado: (2021)

Experiment and simulation on Zr(2)Fe bed for tritium capturing
por: Jiangfeng, Song, et al.
Publicado: (2019)

The Study of Thermal Stability of Mn-Zr-Ce, Mn-Ce and Mn-Zr Oxide Catalysts for CO Oxidation
por: Afonasenko, T. N., et al.
Publicado: (2022)

Adsorption Characteristics and Mechanisms of Fe-Mn Oxide Modified Biochar for Pb(II) in Wastewater
por: Tang, Shang-Feng, et al.
Publicado: (2022)

Activation and Disproportionation of Zr(2)Fe Alloy as Hydrogen Storage Material
por: Song, Jiangfeng, et al.
Publicado: (2019)

Water Dissociation and Hydroxyl Formation on Ni(110)
por: Gerrard, Nikki, et al.
Publicado: (2020)

Electric Properties of Molecule Zr(2)Fe Based on the Full Relativistic Theory
por: Song, Jiangfeng, et al.
Publicado: (2019)

Adsorption of ammonia on ZrO(x)-modified graphene nanoribbon: a first-principle investigation
por: Ayesh, Ahmad I., et al.
Publicado: (2022)

Improvement of O(2) adsorption for α-MnO(2) as an oxygen reduction catalyst by Zr(4+) doping
por: Wang, Yicheng, et al.
Publicado: (2018)

Effect of Impurity Atoms on the Adsorption/Dissociation of Hydrogen Sulfide and Hydrogen Diffusion on the Fe(100) Surface
por: Liang, Jingxuan, et al.
Publicado: (2021)

Adsorption Characteristics of Gas Molecules Adsorbed on Graphene Doped with Mn: A First Principle Study
por: Xie, Tingyue, et al.
Publicado: (2022)

Adsorption of Tetracycline with Reduced Graphene Oxide Decorated with MnFe(2)O(4) Nanoparticles
por: Bao, Jian, et al.
Publicado: (2018)

Principles of adsorption and adsorption processes /
por: Ruthven, Douglas Morris, 1938-
Publicado: (1984)

First-Principles Study on the Adsorption and Dissociation of Impurities on Copper Current Collector in Electrolyte for Lithium-Ion Batteries
por: Chen, Jian, et al.
Publicado: (2018)

Pressure-induced magnetic moment abnormal increase in Mn(2)FeAl and non-continuing decrease in Fe(2)MnAl via first principles
por: Ze-Jin, Yang, et al.
Publicado: (2017)

Dopamine Adsorption on Rutile TiO(2)(110): Geometry, Thermodynamics, and Core-Level Shifts from First Principles
por: Cadmen, Noemi, et al.
Publicado: (2022)

DFT + U Study of the Adsorption and Dissociation of Water on Clean, Defective, and Oxygen-Covered U(3)Si(2){001}, {110}, and {111} Surfaces
por: Jossou, Ericmoore, et al.
Publicado: (2019)

Adsorption and dissociation behavior of H(2) on PuH(2) (100), (110) and (111) surfaces: a density functional theory+U study
por: Luo, Wenhua, et al.
Publicado: (2020)

Comparison of H(2)O Adsorption and Dissociation Behaviors on Rutile (110) and Anatase (101) Surfaces Based on ReaxFF Molecular Dynamics Simulation
por: Zhou, He, et al.
Publicado: (2023)

FeMn and FeMnAg biodegradable alloys: An in vitro and in vivo investigation
por: Saliba, Luke, et al.
Publicado: (2023)

Influence of Nd Substitution on the Phase Constitution in (Zr,Ce)Fe(10)Si(2) Alloys with the ThMn(12) Structure
por: Kołodziej, Mieszko, et al.
Publicado: (2023)

Investigation on Adsorption and Decomposition Properties of CL-20/FOX-7 Molecules on MgH(2)(110) Surface by First-Principles
por: Yang, Zhang, et al.
Publicado: (2020)

Catalytic Reaction Mechanism of NO–CO on the ZrO(2) (110) and (111) Surfaces
por: Cao, Xuesong, et al.
Publicado: (2019)

Electronic, optical and thermoelectric properties of Fe(2)ZrP compound determined via first-principles calculations
por: Pakizeh, Esmaeil, et al.
Publicado: (2019)

Adsorption behavior of trace elements of (90)Sr on MnO(2)–ZrO(2) loaded with polyacrylonitrile polymer from aqueous solutions
por: Akbari, Neda, et al.
Publicado: (2023)

Microstructure and Corrosion Behavior of Laser-Welded Al–Mn–Zr Alloy for Heat Exchanger
por: Lim, Jeong-Min, et al.
Publicado: (2023)

Computational Characterization of Zr-Oxide MOFs for Adsorption Applications
por: Oktavian, Rama, et al.
Publicado: (2022)

Adsorption and Dissociation of CO(2) on Ru(0001)
por: Pachecka, M., et al.
Publicado: (2017)

Fabrication of Stabilized Fe–Mn Binary Oxide Nanoparticles: Effective Adsorption of 17β-Estradiol and Influencing Factors
por: Ning, Qimeng, et al.
Publicado: (2018)

Upcycling of groundwater treatment sludge to magnetic Fe/Mn-bearing nanorod for chromate adsorption from wastewater treatment
por: Qu, Zhan, et al.
Publicado: (2020)

Synthesis of a Lignin-Fe/Mn Binary Oxide Blend Nanocomposite and Its Adsorption Capacity for Methylene Blue
por: Yu, Haozhe, et al.
Publicado: (2021)

Chemically Activated Carbon Based on Biomass for Adsorption of Fe(III) and Mn(II) Ions from Aqueous Solution
por: Elewa, Amal M., et al.
Publicado: (2023)

First-Principles Perspective on Gas Adsorption by [Fe(4)S(4)]-Based Metal–Organic Frameworks
por: Keshavarz, Fatemeh, et al.
Publicado: (2022)

Surface Modification of an Absorbable Bimodal Fe-Mn-Ag Alloy by Nitrogen Plasma Immersion Ion Implantation
por: Sotoudeh Bagha, Pedram, et al.
Publicado: (2023)

Effect of Zr Microalloying on the Microstructures and Strengthening Mechanism of As-Cast Al-Fe-Zr Alloys
por: Ye, Jieyun, et al.
Publicado: (2020)

Effective adsorption of Pb(ii) from wastewater using MnO(2) loaded MgFe-LD(H)O composites: adsorption behavior and mechanism
por: Huang, Yongxiang, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_97oif1pce6sc6jbvcftsdg22r8