Passivation of hydrogen damage using graphene coating on α-Fe2O3 films

Chen, Li; Shi, Changmin; Li, Xiaolong; Mi, Zhishan; Jiang, Chen; Li, Qiao; Volinsky, Alex A.

doi:10.1016/j.carbon.2017.12.119

Cited by 25 publications

(13 citation statements)

References 41 publications

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“…The electronic band structures of the graphene-based heterostructure Gr/CrSiTe 3 were calculated in the framework of the PBE-type generalized gradient approximation using the Vienna ab initio Simulation Package, which is the same as that in our previous reports. [28][29][30] The plane-wave cutoff was set to 400 eV and the spin orbit coupling (SOC) was included in the selfconsistent electronic structure calculations on a 5 Â 5 Â 1 Monkhorst-Pack k-point mesh. We construct the Gr/CrSiTe 3 interface system by using the unit cell of the ffiffi ffi 3 p Â ffiffi ffi 3 p R 301 CrSiTe 3 film and 5 Â 5 Â 1 of the graphene monolayer present in Fig.…”

Section: Methods and Parametersmentioning

confidence: 99%

Electronic properties and interfacial contact of graphene/CrSiTe₃ van der Waals heterostructures

Chen

Jiang

Yang

et al. 2022

Phys. Chem. Chem. Phys.

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Section: Methods and Parametersmentioning

confidence: 99%

Electronic properties and interfacial contact of graphene/CrSiTe₃ van der Waals heterostructures

Chen

Jiang

Yang

et al. 2022

Phys. Chem. Chem. Phys.

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“…The charge density isosurface is set to be 0.003e/Å 3 . A large amount of interfacial charge transfer indicates strong electronic coupling at the interface and high interfacial bonding strength Figure b,e displays the plane-averaged charge density difference along the c -axis direction.…”

Section: Resultsmentioning

confidence: 99%

Synergistic Effect of Hydrogen and Strain on Electronic Properties of the p-Cr₂O₃/n-Fe₂O₃ Interface

Chen

et al. 2021

J. Phys. Chem. C

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This paper investigates the synergistic effect of hydrogen and strain on the electronic properties of the p-Cr2O3/n-Fe2O3 interface structure in passive films using density functional theory and non-equilibrium Green’s function calculations. It is reported that hydrogen doping at the interface can enhance the electronic transport in the interface region by reducing interfacial electric field strength and weaken the interfacial bonding strength. Tensile strain could reduce interfacial electric field strength and promote the interface structure to combine with hydrogen. Moreover, a high synergistic effect of hydrogen and tensile strain enhances electronic transport even more and thus reduces corrosion resistance. These results have a guiding significance in understanding the mechanisms of stress corrosion and hydrogen embrittlement in passive films on stainless steel.

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“…3D α ‐Fe 2 O 3 structures such as spheres, nanoclusters, round‐edged cubes, hollow nanobarrels (HNBs), etc . were obtained as well.…”

Section: Synthesis Of Binary Graphene/fe2o3 Compositesmentioning

confidence: 94%

Synthesis and Applications of Graphene/Iron(III) Oxide Composites

Guo

Yang

et al. 2019

ChemElectroChem

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Iron(III) oxide (Fe 2 O 3 ) has attracted great attention, owing to its abundant natural resources, environmental friendliness, and low cost. Nevertheless, this material possesses an inferior rate capability and a cycle stability that is similar to most transition metal oxides. Graphene, with a one-atom-thick 2D structure, possesses superior mechanical properties, electrical conductivity, and stability, and excellent electrical and electrochemical behaviors. The hierarchical structure of graphene/Fe 2 O 3 composites provides a porous conductive network, close contact between the graphene and Fe 2 O 3 , a stress buffer space for charge transport, and superior structural stability. This composite consists of high conductivity graphene with interconnected Fe 2 O 3 , thus exposing abundant active sites for redox reactions and providing sufficient contacts with the electrolyte. Consequently, materials composed of Fe 2 O 3 and graphene have been widely explored, owing to their outstanding synergistic effects. Graphene can effectively limit the volume expansion and agglomeration of Fe 2 O 3 , whereas Fe 2 O 3 can prevent the restacking of graphene at the same time. This article mainly discusses the preparation of Fe 2 O 3 /graphene materials and their applications, including supercapacitors, rechargeable batteries, catalysis, and so forth. In addition, the perspectives and challenges of Fe 2 O 3 /graphene materials for different applications are also discussed.

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Passivation of hydrogen damage using graphene coating on α-Fe2O3 films

Cited by 25 publications

References 41 publications

Electronic properties and interfacial contact of graphene/CrSiTe₃ van der Waals heterostructures

Electronic properties and interfacial contact of graphene/CrSiTe₃ van der Waals heterostructures

Synergistic Effect of Hydrogen and Strain on Electronic Properties of the p-Cr₂O₃/n-Fe₂O₃ Interface

Synthesis and Applications of Graphene/Iron(III) Oxide Composites

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Passivation of hydrogen damage using graphene coating on α-Fe2O3 films

Cited by 25 publications

References 41 publications

Electronic properties and interfacial contact of graphene/CrSiTe3 van der Waals heterostructures

Electronic properties and interfacial contact of graphene/CrSiTe3 van der Waals heterostructures

Synergistic Effect of Hydrogen and Strain on Electronic Properties of the p-Cr2O3/n-Fe2O3 Interface

Synthesis and Applications of Graphene/Iron(III) Oxide Composites

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Electronic properties and interfacial contact of graphene/CrSiTe₃ van der Waals heterostructures

Electronic properties and interfacial contact of graphene/CrSiTe₃ van der Waals heterostructures

Synergistic Effect of Hydrogen and Strain on Electronic Properties of the p-Cr₂O₃/n-Fe₂O₃ Interface