Cargando…

Sulfide (H(2)S) Corrosion Modeling of Cr-Doped Iron (Fe) Using a Molecular Modeling Approach

[Image: see text] This work presents the use of density functional theory to study the adsorption/dissociation mechanism of the H(2)S molecule at the Cr-doped iron (Fe(100)) surface. It is observed that H(2)S is weakly adsorbed on Cr-doped Fe; however, the dissociated products are strongly chemisorb...

Descripción completa

Detalles Bibliográficos
Autores principales:	Asif, Mohammad, Khan, Faisal, Hawboldt, Kelly, Anwar, Shams
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9979321/ https://www.ncbi.nlm.nih.gov/pubmed/36872987 http://dx.doi.org/10.1021/acsomega.2c05615

Ejemplares similares

Facile photocatalytic reduction of carcinogenic Cr(vi) on Fe-doped copper sulfide nanostructures
por: Ain, Noor ul, et al.
Publicado: (2020)

Mechanical and Corrosion Behavior of Zr-Doped High-Entropy Alloy from CoCrFeMoNi System
por: Brito-Garcia, Santiago, et al.
Publicado: (2023)

Electrochemical behaviour and analysis of Zn and Zn–Ni alloy anti-corrosive coatings deposited from citrate baths
por: Anwar, Shams, et al.
Publicado: (2018)

Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
por: El-Hendawy, Morad M., et al.
Publicado: (2021)

Correction: Electrochemical behaviour and analysis of Zn and Zn–Ni alloy anti-corrosive coatings deposited from citrate baths
por: Anwar, Shams, et al.
Publicado: (2020)

Corrosion Performance of Fe-Cr-Ni Alloys in Artificial Saliva and Mouthwash Solution
por: Porcayo-Calderon, J., et al.
Publicado: (2015)

Phase-field modeling for pH-dependent general and pitting corrosion of iron
por: Tsuyuki, Chisa, et al.
Publicado: (2018)

Morphology and Anti-Corrosive Performance of Cr(III) Passivated Zn–Fe Alloy Coating on NdFeB Substrate
por: Li, Ba, et al.
Publicado: (2022)

Corrosion and Thermal Stability of CrMnFeNi High Entropy Alloy in Molten FLiBe Salt
por: Elbakhshwan, Mohamed, et al.
Publicado: (2019)

The Effects of Niobium and Molybdenum on the Microstructures and Corrosion Properties of CrFeCoNiNbxMoy Alloys
por: Tsau, Chun-Huei, et al.
Publicado: (2022)

Microstructure and Corrosive Wear Properties of CoCrFeNiMn High-Entropy Alloy Coatings
por: Wang, Haodong, et al.
Publicado: (2022)

Effect of Cr Content on Corrosion Resistance of Ni–xCr–Mo Laser-Cladding Coatings under H(2)S-Induced High-Temperature Corrosion Atmosphere
por: Liu, Congcong, et al.
Publicado: (2022)

Corrosion Behavior of CrFeCoNiV(0.5) and CrFeCoNiV Alloys in 0.5 M and 1 M Sodium Chloride Solutions
por: Tsau, Chun-Huei, et al.
Publicado: (2023)

Effect of Elemental Sulfur and Sulfide on the Corrosion Behavior of Cr-Mo Low Alloy Steel for Tubing and Tubular Components in Oil and Gas Industry
por: Khaksar, Ladan, et al.
Publicado: (2017)

Itinerant magnetism in doped semiconducting β-FeSi(2) and CrSi(2)
por: Singh, David J., et al.
Publicado: (2013)

Corrosion Resistance of Shape Recoverable Fe-17Mn-5Si-5Cr Alloy in Concrete Structures
por: Joo, Jaehoon, et al.
Publicado: (2020)

Microbiologically influenced corrosion of FeCoNiCrMn high-entropy alloys by Pseudomonas aeruginosa biofilm
por: Yang, Jike, et al.
Publicado: (2022)

Enhanced corrosion resistance properties of Fe–Al–Cr laser cladding coatings on 1045 carbon steel substrates
por: Luo, Xixi, et al.
Publicado: (2023)

Sol–gel synthesis of DyCrO(3) and 10% Fe-doped DyCrO(3) nanoparticles with enhanced photocatalytic hydrogen production abilities
por: Ahsan, Ragib, et al.
Publicado: (2018)

Sulfidized Nanoscale Zerovalent Iron Supported by Oyster Powder for Efficient Removal of Cr (VI): Characterization, Performance, and Mechanisms
por: Hu, Hao, et al.
Publicado: (2022)

Molecular Modeling Study toward Development of H(2)S-Free Removal of Iron Sulfide Scale from Oil and Gas Wells
por: Buijs, Wim, et al.
Publicado: (2018)

Photocatalysis of Cr- and Fe-Doped CeO(2) Nanoparticles to Selective Oxidation of 5-Hydroxymethylfurfural
por: Nam, Jeong-Woo, et al.
Publicado: (2022)

Corrosion Behavior of CoCrFeNiTa(x) Alloys in 1 M Sodium Chloride Aqueous Solution
por: Tsau, Chun-Huei, et al.
Publicado: (2020)

The Effect of Nb-Content on the Microstructures and Corrosion Properties of CrFeCoNiNb(x) High-Entropy Alloys
por: Tsau, Chun-Huei, et al.
Publicado: (2019)

The Effect of Heat Treatment on the Tribological Properties and Room Temperature Corrosion Behavior of Fe–Cr–Al-Based OPH Alloy
por: Khalaj, Omid, et al.
Publicado: (2020)

Effects of nickel content on the microstructure, microhardness and corrosion behavior of high-entropy AlCoCrFeNix alloys
por: López Ríos, M., et al.
Publicado: (2020)

Microstructure and Corrosion Properties of AlCrFeCoNi High-Entropy Alloy Coatings Prepared by HVAF and HVOF
por: Löbel, Martin, et al.
Publicado: (2021)

Modification of Hydrogenation and Corrosion Properties of Hydrogen Storage Material by Amorphous TiCrFeCoNi HEA Layer
por: Giemza, Agnieszka, et al.
Publicado: (2022)

Influence of Mo on the Microstructure and Corrosion Behavior of Laser Cladding FeCoCrNi High-Entropy Alloy Coatings
por: Li, Wenjuan, et al.
Publicado: (2022)

Mechanically Alloyed CoCrFeNiMo(0.85) High-Entropy Alloy for Corrosion Resistance Coatings
por: Geambazu, Laura Elena, et al.
Publicado: (2021)

Microstructure and Corrosion Behavior of Atmospheric Plasma Sprayed NiCoCrAlFe High Entropy Alloy Coating
por: Mehmood, Kashif, et al.
Publicado: (2022)

Corrosion Behavior of Al(x)(CrFeNi)(1−x) HEA under Simulated PWR Primary Water
por: Luo, Dongwei, et al.
Publicado: (2022)

Aluminium Matrix Composites Reinforced with AlCrFeMnNi HEA Particulates: Microstructure, Mechanical and Corrosion Properties
por: Ananiadis, Elias A., et al.
Publicado: (2023)

Effect of Cr, Mo and Al on Microstructure, Abrasive Wear and Corrosion Resistance of Ni-Mn-Cu Cast Iron
por: Medyński, Daniel, et al.
Publicado: (2019)

Improving of 100Cr6 Steel Corrosion and Wear Properties in Simulated Sea Water Environment by Tungsten-Doped DLC Coating
por: Vicen, Martin, et al.
Publicado: (2023)

Formation of Iron Sulfides on Carbon Steel in a Specific Cement Grout Designed for Radioactive Waste Repository and Associated Corrosion Mechanisms
por: Robineau, Mathieu, et al.
Publicado: (2021)

Uniform yolk-shell iron sulfide–carbon nanospheres for superior sodium–iron sulfide batteries
por: Wang, Yun-Xiao, et al.
Publicado: (2015)

A highly selective and sensitive H(2)S sensor at low temperatures based on Cr-doped α-Fe(2)O(3) nanoparticles
por: Xue, Dongyang, et al.
Publicado: (2019)

Lattice Distortion and Phase Stability of Pd-Doped NiCoFeCr Solid-Solution Alloys
por: Zhang, Fuxiang, et al.
Publicado: (2018)

Role of Cr Doping on the Structure, Electronic Structure, and Electrochemical Properties of BiFeO(3) Nanoparticles
por: Kumar, Shalendra, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_1gffrl93vcvi2bjefnd217urgg