Bonding interface boosts the intrinsic activity and durability of NiSe@Fe2O3 heterogeneous electrocatalyst for water oxidation

Guo, Kailu; Wang, Yantao; Yang, Shaohua; Huang, Junfeng; Zou, Zehua; Pan, Hairui; Shinde, Pravin S.; Pan, Shanlin; Huang, Jier; Xu, Cailing

doi:10.1016/j.scib.2020.06.003

Cited by 58 publications

(33 citation statements)

References 52 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For the heterostructures electrocatalysts, the electron transfers occur at the interfaces of the heterostructures, [302] which can be employed to tune the d-band center. [285] These physical properties can be used to tailor the d-band center of the metal atom and then facilitate the chemisorption of reaction intermediates on the catalytic surface. Bu et al [284] designed a catalyst, P-3G, a composite of the cation-ordered perovskite (PBSCF) and 3D porous N-doped graphene (3DNG), which exhibits outstanding multifunctional catalytic activities.…”

Section: D-band Modelmentioning

confidence: 99%

“…As displayed in Figure 7c, the high activity of P-3G is attributed to the upshift of the dband center to the Fermi level as a consequence of the electronic transfer from 3DNG to PBSCF. Guo et al [285] fabricated an outstanding OER catalyst with a core-shell heterogeneous structure (NF/NiSe@Fe 2 O 3 ). The activity is shown to stem from the tuning d-band center via Fe-Se bond at the interface (Figure 7d).…”

Section: D-band Modelmentioning

confidence: 99%

“…Reprinted with permission from Ref. [ 285 ] Copyright 2020, Elsevier B.V. and Science China Press. e) The OER (left) and ORR (right) volcano plots with the activity as a function of e g occupancy of the active element at octahedral site.…”

Section: Dft Descriptors For Electrocatalystsmentioning

confidence: 99%

“…For the heterostructures electrocatalysts, the electron transfers occur at the interfaces of the heterostructures, [ 302 ] which can be employed to tune the d ‐band center. [ 285 ] These physical properties can be used to tailor the d ‐band center of the metal atom and then facilitate the chemisorption of reaction intermediates on the catalytic surface. Bu et al .…”

Section: Dft Descriptors For Electrocatalystsmentioning

confidence: 99%

mentioning

confidence: 99%

See 4 more Smart Citations

Density Functional Theory for Electrocatalysis

Liao

Xia

et al. 2021

Energy & Environ Materials

162

View full text Add to dashboard Cite

With the increase in energy demand and worldwide natural environment crises, it is imperative to develop green and sustainable energy systems to produce clean fuels and chemicals, which can replace fossil fuels and reduce carbon dioxide emissions. [1][2][3] A promising strategy is to develop advanced electrochemical technologies that can convert some common molecules (e.g., water, carbon dioxide, and nitrogen) into high-value chemical products (e.g., hydrogen, hydrocarbons, oxygenates, ammonia, and carbonates). [4][5][6][7] The important energy-related electrocatalytic reactions, including hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), nitrogen reduction reaction (NRR), carbon dioxide reduction reaction (CO 2 RR), are the key conversion routes. In the complex processes for the electrocatalytic reactions, an efficient, highly selective, and stable electrocatalyst plays a pivotal role in speeding up the reaction kinetics and decreasing the overpotential, [5,8,9] which can enhance the sustainable energy conversion efficiency. Over the past few decades, tremendous progresses have been made in the establishment of electrocatalysts preparation and fundamental catalytic mechanisms. [6,7,[9][10][11][12][13][14][15][16][17][18] Nevertheless, those breakthroughs still stay at the stage of experimental synthesis and lack of indepth understanding of fundamental principles of the active site on the catalyst surface and catalytic reactions mechanisms, which seriously limits the development of efficient catalysts. Researchers are full of enthusiasm about preparation of advanced catalysts with ideal properties, expecting to establish the composition-structure-function relationships. Density functional theory (DFT) calculations are based on quantum mechanics, which can calculate the electronic structure of the whole catalytic system. It is probably the most powerful computational approach to investigate the structure-activity relationships of electrocatalysts at atomic level. With the rapid advances of computer technology, DFT calculations have created tremendous opportunities in shedding light on the electrocatalytic mechanisms and predicting promising catalysts. [19,20] Identification of the active sites and understanding of the reaction mechanisms are the two key aspects for the study of electrocatalytic reactions. [21] For the former, the experimental approach for identifying active sites is indirect by prepared specified catalysts and establishing definite correlations between catalytic performances and controllable factors. [22,23] Actually, many intermediate states of electrocatalytic

show abstract

Section: D-band Modelmentioning

confidence: 99%

Section: D-band Modelmentioning

confidence: 99%

Section: Dft Descriptors For Electrocatalystsmentioning

confidence: 99%

Section: Dft Descriptors For Electrocatalystsmentioning

confidence: 99%

mentioning

confidence: 99%

See 3 more Smart Citations

Density Functional Theory for Electrocatalysis

Liao

Xia

et al. 2021

Energy & Environ Materials

162

View full text Add to dashboard Cite

show abstract

3D Co₃O₄‐RuO₂ Hollow Spheres with Abundant Interfaces as Advanced Trifunctional Electrocatalyst for Water‐Splitting and Flexible Zn–Air Battery

Gao

Zheng

et al. 2022

Adv Funct Materials

141

View full text Add to dashboard Cite

Exploiting efficient and stable electrocatalysts with trifunctional catalytic activity toward hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) act has a crucial role with sustainable energy development. Therefore, this study fabricates Co3O4‐RuO2 hollow spheres using a facile and eco‐friendly solvothermal and low temperature oxidation procedure followed by ice water treatment (IW‐Co3O4‐RuO2‐HS). The specific hollow nanostructure could provide sufficient active sites and channels in the electrocatalytic procedure. Then, the IW‐Co3O4‐RuO2‐HS presents small overpotentials toward HER (40 mV@ 10 mA cm−2) and OER (250 mV@ 10 mA cm−2), and high half‐wave potential for ORR (E1/2@ 0.79 V). Remarkably, the IW‐Co3O4‐RuO2‐HS also presents superior catalytic performances toward water‐splitting and flexible rechargeable Zn–air batteries. Furthermore, the water electrolysis can be driven by sustainable energy, including solar, wind, thermal energy, and the assembled flexible rechargeable Zn–air battery. This study provides a valid path to synthesize multifunctional electrocatalysts on energy‐related devices.

show abstract

Pre‐Intercalation of Zn Ions to Enlarge and Stabilize Hierarchical Structure of Zn_xMn_1‐xSe Cathode for Flexible Zn‐Ion Capacitor

Fang,

Xu,

Han

et al. 2024

Adv Funct Materials

View full text Add to dashboard Cite

Zn‐ion capacitors (ZICs) assembled from cathodes with diffusion‐controlled behaviors and capacitive anodes have attracted increasing interest thanks to their satisfactory and balanced energy and power densities. However, currently, only two cathode materials of this type, MnO2 and V2O5, are applied to ZICs. MnSe is increasingly being reported to exhibit diffusion‐controlled characteristics in metal‐ion batteries and supercapacitors, yet its insufficient interlayer spacing and unstable structure lead to poor energy storage capacity. Herein, ZnxMn1‐xSe microflowers with nanosheets can be in situ pre‐intercalated with Zn ions to enlarge and stabilize the interlayer spacing of hierarchical porous structure, demonstrating to be a superior cathode for ZICs. During the charging/discharging process of Zn0.14Mn0.86Se electrode, a redox couple at ≈0.6/0.3 V on cyclic voltammetry profile, and a potential plateau appearing at ≈0.2 V on discharge curve is detected, corresponding to the insertion/extraction of Zn ions. Thus, a long discharge time realizes on the discharge curve of flexible ZIC assembled from polyacrylamide gel electrolyte and activated carbon anode, achieving a superb areal capacitance of 2,038.2 mF cm−2 at 1 mA cm−2. This work offers an exemplary effort to unlock fresh cathodes for ZICs.

show abstract

Bonding interface boosts the intrinsic activity and durability of NiSe@Fe2O3 heterogeneous electrocatalyst for water oxidation

Cited by 58 publications

References 52 publications

Density Functional Theory for Electrocatalysis

Density Functional Theory for Electrocatalysis

3D Co₃O₄‐RuO₂ Hollow Spheres with Abundant Interfaces as Advanced Trifunctional Electrocatalyst for Water‐Splitting and Flexible Zn–Air Battery

Pre‐Intercalation of Zn Ions to Enlarge and Stabilize Hierarchical Structure of Zn_xMn_1‐xSe Cathode for Flexible Zn‐Ion Capacitor

Contact Info

Product

Resources

About

Bonding interface boosts the intrinsic activity and durability of NiSe@Fe2O3 heterogeneous electrocatalyst for water oxidation

Cited by 58 publications

References 52 publications

Density Functional Theory for Electrocatalysis

Density Functional Theory for Electrocatalysis

3D Co3O4‐RuO2 Hollow Spheres with Abundant Interfaces as Advanced Trifunctional Electrocatalyst for Water‐Splitting and Flexible Zn–Air Battery

Pre‐Intercalation of Zn Ions to Enlarge and Stabilize Hierarchical Structure of ZnxMn1‐xSe Cathode for Flexible Zn‐Ion Capacitor

Contact Info

Product

Resources

About

3D Co₃O₄‐RuO₂ Hollow Spheres with Abundant Interfaces as Advanced Trifunctional Electrocatalyst for Water‐Splitting and Flexible Zn–Air Battery

Pre‐Intercalation of Zn Ions to Enlarge and Stabilize Hierarchical Structure of Zn_xMn_1‐xSe Cathode for Flexible Zn‐Ion Capacitor