How heteroatoms (Ge, N, P) improve the electrocatalytic performance of graphene: theory and experiment

Chang, Guojing; Ren, Jun; She, Xilin; Wang, Kewei; Komarneni, Sridhar; Yang, Dongjiang

doi:10.1016/j.scib.2018.01.013

Cited by 31 publications

(17 citation statements)

References 13 publications

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“…DFT calculations were utilized to further understanding the activity of different adsorbed sites of CoP. First, we simulated a series of models to represent the different facets of CoP . The facets of CoP‐400 including (011), (111), (112), (211), and (301) are established in Figure to compute their surface energies.…”

Section: Resultsmentioning

confidence: 99%

Sub‐1.5 nm Ultrathin CoP Nanosheet Aerogel: Efficient Electrocatalyst for Hydrogen Evolution Reaction at All pH Values

Zhao

Liu

et al. 2018

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Transition metal phosphides (TMPs) are certified high performance electrocatalysts for the hydrogen evolution reaction (HER). The ultrathin 2D structure of TMPs can offer abundant adsorption sites to boost HER performance. Herein, an ice‐templating strategy is developed to prepare CoP aerogels composed of 2D ultrathin CoP nanosheets (<1.5 nm) using sustainable alginate biomass (seaweed extract) as the precursor. The highly porous aerogel structure can not only deliver facile mass transfer, but also prevent aggregation of the nanosheets into layered structures. As expected, the obtained CoP nanosheet aerogels exhibit remarkable stability and excellent electrocatalytic HER performance at all pH values. For instance, the sample CoP‐400 presents a low overpotential of 113, 154, and 161 mV versus RHE at a current density of 10 mA cm−2 in 0.5 m H2SO4, 1 m KOH, and 1 m phosphate buffer solution, respectively. In addition, CoP‐400 displays low Tafel slopes at all pH values due to the interconnected highly porous structure of the aerogel, indicating that the sample can provide low‐resistance channels for mass transport. Density functional theory calculations reveal that P‐top and Co bridge on (011) facet of CoP are more favorable sites during the process of HER in acid and alkaline solutions, respectively.

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Section: Resultsmentioning

confidence: 99%

Sub‐1.5 nm Ultrathin CoP Nanosheet Aerogel: Efficient Electrocatalyst for Hydrogen Evolution Reaction at All pH Values

Zhao

Liu

et al. 2018

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“…The Vienna Ab-initio Simulation Package (VASP) software on basis of the plane-wave method was utilized for density functional theory (DFT) calculations [36][37][38]. Our computations employed the generalized gradient approximation (GGA) with Perdew-Burke-Ernzerhof (PBE) exchange- [39].…”

Section: Density Functional Theory Calculationsmentioning

confidence: 99%

Red phosphorus decorated and doped TiO2 nanofibers for efficient photocatalytic hydrogen evolution from pure water

Zhu

Dong

et al. 2019

Applied Catalysis B: Environmental

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“…Furthermore, the density of state (DOS) is closely related to charge transfer in each step of OER process. In Figure S14, the DOS of NiFe 2 O 4 −Ar‐30 around the Fermi level is stronger than that of NiFe 2 O 4 , which indicates the introduction of multiple vacancies can improve the conductivity and boost the charge transport ability [30,37] . The enhanced electron transfer can promote the adsorption of the H 2 O molecules, accelerate the reaction kinetics and thus improve the activity of OER [31,32] …”

Section: Figurementioning

confidence: 99%

“…In Figure S14, the DOS of NiFe 2 O 4 À Ar-30 around the Fermi level is stronger than that of NiFe 2 O 4 , which indicates the introduction of multiple vacancies can improve the conductivity and boost the charge transport ability. [30,37] The enhanced electron transfer can promote the adsorption of the H 2 O molecules, accelerate the reaction kinetics and thus improve the activity of OER. [31,32] In summary, we have successfully synthesized single-crystal NiFe 2 O 4 spinel with 100% exposed (111) facets with multiple vacancies (cation and O vacancies).…”

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confidence: 99%

Multiple Vacancies on (111) Facets of Single‐Crystal NiFe₂O₄ Spinel Boost Electrocatalytic Oxygen Evolution Reaction

Chen

Zhang

Zhuang

et al. 2020

Chemistry An Asian Journal

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Oxygen evolution reaction (OER) as the ratedetermining reaction of water splitting has been attracting enormous attention. At present, only some nobleÀ metal oxide materials (IrO 2 and RuO 2) have been reported as efficient OER electrocatalysts for OER. However, the high cost and scarcity of these nobleÀ metal oxide materials greatly hamper their largeÀ scale practical application. Herein, we synthesize 100% (111) faceted NiFe 2 O 4 single crystals with multiple vacancies (cation vacancies and O vacancies). The (111) facets can supply enough platform to break chemical bonds and enhance electrocatalytic activity, due to its high density of atomic steps and kink atoms. Compared to NiFe 2 O 4 (without vacancies), the as-synthesized NiFe 2 O 4 À Ar (with vacancies) exhibits a dramatically improved OER activity. The NiFe 2 O 4 À Ar-30 shows the lowest onset potential (1.45 V vs RHE) and the best electrocatalytic OER activity with the lowest overpotential of 234 mV at 50 mA cm À 2. Furthermore, based on the theoretical calculations that the introduction of multiple vacancies can effectively modulate the electronic structure of active centers to accelerate charge transfer and reaction intermediates adsorption, which can reduce the reaction energy barrier and enhance the activity of electrochemical OER.

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How heteroatoms (Ge, N, P) improve the electrocatalytic performance of graphene: theory and experiment

Cited by 31 publications

References 13 publications

Sub‐1.5 nm Ultrathin CoP Nanosheet Aerogel: Efficient Electrocatalyst for Hydrogen Evolution Reaction at All pH Values

Sub‐1.5 nm Ultrathin CoP Nanosheet Aerogel: Efficient Electrocatalyst for Hydrogen Evolution Reaction at All pH Values

Red phosphorus decorated and doped TiO2 nanofibers for efficient photocatalytic hydrogen evolution from pure water

Multiple Vacancies on (111) Facets of Single‐Crystal NiFe₂O₄ Spinel Boost Electrocatalytic Oxygen Evolution Reaction

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How heteroatoms (Ge, N, P) improve the electrocatalytic performance of graphene: theory and experiment

Cited by 31 publications

References 13 publications

Sub‐1.5 nm Ultrathin CoP Nanosheet Aerogel: Efficient Electrocatalyst for Hydrogen Evolution Reaction at All pH Values

Sub‐1.5 nm Ultrathin CoP Nanosheet Aerogel: Efficient Electrocatalyst for Hydrogen Evolution Reaction at All pH Values

Red phosphorus decorated and doped TiO2 nanofibers for efficient photocatalytic hydrogen evolution from pure water

Multiple Vacancies on (111) Facets of Single‐Crystal NiFe2O4 Spinel Boost Electrocatalytic Oxygen Evolution Reaction

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Multiple Vacancies on (111) Facets of Single‐Crystal NiFe₂O₄ Spinel Boost Electrocatalytic Oxygen Evolution Reaction