Charge transfer modulated heterointerfaces for hydrogen production at all pH values

Maji, Mamoni; Dihingia, Nikalabh; Dutta, Supriti; Parvin, Sahanaz; Pati, Swapan K.; Bhattacharyya, Sayan

doi:10.1039/d2ta06083c

Cited by 11 publications

(11 citation statements)

References 67 publications

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“…Meanwhile, the experimentally observed charge transfer is corroborated by the charge density difference (CDD) and Bader charge calculations. 30 The CDD in Fig. S15† shows that electrons are concentrated at the bridge site between Co and Zn.…”

Section: Resultsmentioning

confidence: 97%

“…The DFT calculations were performed using the planar wavebased Vienna ab initio simulation package (VASP). 30,31 The generalized gradient approximation (GGA) of Perdew, Burke, and Ernzerhof (PBE) was selected for the exchangecorrelation potential with a cut-off kinetic energy of 500 eV for plane-wave expansions. The total energies converged to 10 −4 eV, and the convergence criterion for the residual forces on the atoms was set to 0.05 eV Å −1 during the relaxation.…”

Section: Theoretical Calculationsmentioning

confidence: 99%

“…Meanwhile, the experimentally observed charge transfer is corroborated by the charge density difference (CDD) and Bader charge calculations. 30 The CDD in Fig.…”

Section: Catalysis Science and Technology Papermentioning

confidence: 99%

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Electronic modulation of CoP nanosheets array by Zn doping as an efficient electrocatalyst for overall water splitting

Li,

Huang,

Liu

et al. 2023

Catal. Sci. Technol.

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Section: Resultsmentioning

confidence: 97%

Section: Theoretical Calculationsmentioning

confidence: 99%

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Electronic modulation of CoP nanosheets array by Zn doping as an efficient electrocatalyst for overall water splitting

Li,

Huang,

Liu

et al. 2023

Catal. Sci. Technol.

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“…Additionally, the spin-orbit splitting of 17.8 eV and corresponding satellite peaks at 861.5 and 879. [5,28,29] The charge transfer from In to Ni, is likely to generate In δ + and Ni δÀ sites that renders strong electrostatic interactions and impedes the electrochemical oxidation of the Ni-sites.…”

Section: Resultsmentioning

confidence: 99%

“…The typical In 2 O 3 band at 444.8 eV is expectedly absent in In5. The reduction of the binding energies of Ni 2p level from In0 (absence of In) to In5 indicates the anticipated charge transfer from In to Ni sites [5, 28, 29] . The charge transfer from In to Ni, is likely to generate In δ+ and Ni δ− sites that renders strong electrostatic interactions and impedes the electrochemical oxidation of the Ni‐sites.…”

Section: Resultsmentioning

confidence: 99%

Lattice Mismatch Guided Nickel‐Indium Heterogeneous Alloy Electrocatalysts for Promoting the Alkaline Hydrogen Evolution

et al. 2023

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The immiscibility of crystallographic facets in multi-metallic catalysts plays a key role in driving the green H 2 production by water electrolysis. The lattice mismatch between tetragonal In and face-centered cubic (fcc) Ni is 14.9 % but the mismatch with hexagonal close-packed (hcp) Ni is 49.8 %. Hence, in a series of NiÀ In heterogeneous alloys, In is selectively incorporated in the fcc Ni. The 18-20 nm Ni particles have 36 wt % fcc phase, which increases to 86 % after In incorporation. The charge transfer from In to Ni, stabilizes the Ni 0 state and In develops a fractional positive charge that favors *OH adsorption. With only 5 at% In, 153 mL h À 1 H 2 is evolved at À 385 mV with mass activity of 57.5 A g À 1 at-400 mV, 200 h stability at À 0.18 V versus reversible hydrogen electrode (RHE), and Pt-like activity at high current densities, due to the spontaneous water dissociation, lower activation energy barrier, optimal adsorption energy of OH À ions and the prevention of catalyst poisoning.

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Borate Anion‐Intercalated NiV‐LDH Nanoflakes/NiCoP Nanowires Heterostructures for Enhanced Oxygen Evolution Selectivity in Seawater Splitting

Gao,

Zhou,

Zhao

et al. 2024

Adv Funct Materials

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Resourceful and inexpensive seawater direct splitting omits the desalination process and effectively increases the efficiency of hydrogen energy generation. However, the development of seawater splitting is hampered by the competing selectivity challenges from anodic oxygen evolution reaction (OER) and chlorine evolution reaction and the issues of electrode corrosion. Herein, the borate anion‐intercalated NiV‐LDH nanoflakes/NiCoP nanowires heterostructures supported on Ni foam (2D/1D NiV‐BLDH/NiCoP/NF) is synthesized. Theoretical calculations show that a small amount of V atom doping in Ni(OH)2 is favorable for changing the electronic environment around Ni atoms via bridging Ni─O, which can construct Ni─O─V to accelerate electron transfer and promote catalytic activity. The borate anions (B(OH)4−) intercalation not only results in the good hydrophilicity and high OH− selectivity but also weakens the adsorption of chlorine (Cl−), which effectively restrains the chlorine evolution reaction. Thus, the component optimized NiV0.1‐BLDH/NiCoP/NF electrocatalyst only requires 268 mV overpotential to reach 100 mA cm−2 for OER in an alkaline environment. Particularly, the NiCoP/NF||NiV0.1‐BLDH/NiCoP/NF cell exhibits attractive overall water splitting performance with a low voltage of 1.46 and 1.53 V at 10 mA cm−2 in alkaline freshwater and alkaline seawater, respectively. The design strategy of this electrocatalyst provides a new avenue for seawater splitting.

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Charge transfer modulated heterointerfaces for hydrogen production at all pH values

Abstract: We present an ingenious all-pH hydrogen evolution reaction (HER) active heterostructure where the electrochemical activity is governed by the interfacial electronic charge transfer. The intertwined heterostructure consists of NiV layered...

Cited by 11 publications

References 67 publications

Electronic modulation of CoP nanosheets array by Zn doping as an efficient electrocatalyst for overall water splitting

Electronic modulation of CoP nanosheets array by Zn doping as an efficient electrocatalyst for overall water splitting

Lattice Mismatch Guided Nickel‐Indium Heterogeneous Alloy Electrocatalysts for Promoting the Alkaline Hydrogen Evolution

Borate Anion‐Intercalated NiV‐LDH Nanoflakes/NiCoP Nanowires Heterostructures for Enhanced Oxygen Evolution Selectivity in Seawater Splitting

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