Intrinsic Electronic Structure Research Articles

Surface Corrosion‐Resistant and Multi‐Scenario MoNiP Electrode for Efficient Industrial‐Scale Seawater Splitting

AbstractThe construction of efficient and durable multifunctional electrodes for industrial‐scale hydrogen production presents a main challenge. Herein, molybdenum‐modulated phosphorus‐based catalytic electrodes (Mo‐NiP@NF) are prepared via mild electroless plating. Heteroatoms doping or heterostructures construction can reconfigure the intrinsic electronic structure of the pre‐catalyst and optimizes the key intermediates adsorption. Moreover, the (hypo/meta‐)phosphite anions (POxδ−) and molybdate ions (MoOxδ−) on the electrode surface of Mo‐NiP@NF afford resistance to chloride (Cl−) corrosion. Mo‐NiP@NF exhibits ultralow overpotentials of 278/550 and 282/590 mV at 1 A cm−2 during the hydrogen/oxygen evolution reaction (HER/OER) in alkaline simulated and real seawater, respectively, whereas catalytic overall seawater splitting (OWS) reach 1 A cm−2 at 1.96 and 1.97 Vcell. Remarkably, Mo‐NiP@NF maintains stable operation for 1500 h in OWS. The scalability of Mo‐NiP@NF allowing the assembly of proton exchange membrane (PEM) electrolyzer powered by photovoltaic energy, simulating a portable hydrogen‐oxygen respirator provides an oxygen/hydrogen flows of 160/320 mL min−1. Expanding further, the trace ruthenium‐loaded Mo‐NiP@NF catalyst sodium borohydride (NaBH4) hydrolysis achieving a hydrogen generation rate (HGR) of 11049.2 mL min−1 g−1. This work provides strategic innovations and optimization solutions for the economical and mild construction of multi‐scenario durable green energy conversion materials at industrial‐scale application.

1-Azaazulene: A Ligand Moiety for Boron Difluoride (BF2) Complexes To Achieve Long-Wavelength Absorption.

1-Azaazulene was adopted as a new ligand moiety for boron difluoride (BF2) complexes, resulting in large red shifts of the absorption bands up to 103 nm compared to their isomeric quinoline-based complexes. Such change was attributed to the nonalternant nature of 1-azaazulene, as the complexes maintained the intrinsic 10π-peripheral electronic structure. 1a exhibited the most red-shifted absorption among reported BF2 complexes containing a phenolic backbone, and the absorption edge of 1b reached the red region.

P‐doped RuSe2 on Porous N‐doped Carbon Matrix as Catalysts for Accelerated Sulfur Redox Reactions

Monocomponent catalysts exhibit the limited catalytic conversion of polysulfides due to their intrinsic electronic structure, but their catalytic activity can be improved by introducing heteroatoms to regulate its electronic structure. However, the rational selection principles of doping elements remain unclear. Here, we are guided by theoretical calculations to select the suitable doping elements based on the balanced relationship between the adsorption strength of lithium polysulfides (LiPSs) and catalytic activity of lithium sulfide. We apply the screening method to develop a new catalyst of phosphorus doped RuSe2, manifesting the further enhanced conductivity compared with original RuSe2, facilitating charge transfer and further modulating the d–band center of RuSe2, thereby augmenting its effectiveness in interacting with LiPSs. Consequently, the assembled cell exhibits an areal capacity of 7.7 mAh cm–2, even under high sulfur loading of 8.0 mg cm–2 and a lean electrolyte condition (5.0 μL mg–1). This rational screening strategy offers a robust solution for the design of advanced catalysts in the field of lithium–sulfur batteries and potentially other domains as well.

P-doped RuSe2 on Porous N-Doped Carbon Matrix as Catalysts for Accelerated Sulfur Redox Reactions.

Monocomponent catalysts exhibit the limited catalytic conversion of polysulfides due to their intrinsic electronic structure, but their catalytic activity can be improved by introducing heteroatoms to regulate its electronic structure. However, the rational selection principles of doping elements remain unclear. Here, we are guided by theoretical calculations to select the suitable doping elements based on the balanced relationship between the adsorption strength of lithium polysulfides (LiPSs) and catalytic activity of lithium sulfide. We apply the screening method to develop a new catalyst of phosphorus doped RuSe2, manifesting the further enhanced conductivity compared with original RuSe2, facilitating charge transfer and further modulating the d-band center of RuSe2, thereby augmenting its effectiveness in interacting with LiPSs. Consequently, the assembled cell exhibits an areal capacity of 7.7 mAh cm-2, even under high sulfur loading of 8.0 mg cm-2 and a lean electrolyte condition (5.0 μL mg-1). This rational screening strategy offers a robust solution for the design of advanced catalysts in the field of lithium-sulfur batteries and potentially other domains as well.

A novel gas sensor based on ZnO nanoparticles self-assembly porous networks for morphine drug detection in methanol

Developing efficient drug-detecting technologies is critical to the fight against their related abuse and trafficking crimes. In the present work, a novel morphine detection device based on metal-oxide-semiconductor (MOS) gas sensors with low-cost, highly sensitive, and portable is designed and fabricated. The exclusive sensitive material, ZnO nanoparticles self-assembly porous networks (ZnO-N) with ample oxygen vacancies (OV) defects prepared by PVP-chelated precipitation followed by a chemical blowing calcination method, is decisive to morphine drug identification. OV defects can modulate the intrinsic electronic structure and endow ZnO-N with more suitable band structures for enhancing oxygen species adsorption and morphine molecules oxidation. The optimal ZnO-N-2 sensor exhibits positive linear relationship response values of 1.1–8.8 in the concentrations of 2–200 ppm toward the standard morphine drug sample at the optimal operating temperature of 250°C. More importantly, the homemade portable device equipped with the ZnO-N-2 sensor can accurately identify the morphine drug and perform early warning. This work innovatively demonstrates the feasibility of MOS gas sensors for the detection of stashing morphine drugs in methanol, which is of great significance for effectively combating global drug-related crimes.

Transition Metal Selenide-Based Anodes for Advanced Sodium-Ion Batteries: Electronic Structure Manipulation and Heterojunction Construction Aspect.

In recent years, sodium-ion batteries (SIBs) have gained a foothold in specific applications related to lithium-ion batteries, thanks to continuous breakthroughs and innovations in materials by researchers. Commercial graphite anodes suffer from small interlayer spacing (0.334 nm), limited specific capacity (200 mAh g-1), and low discharge voltage (<0.1 V), making them inefficient for high-performance operation in SIBs. Hence, the current research focus is on seeking negative electrode materials that are compatible with the operation of SIBs. Many studies have been reported on the modification of transition metal selenides as anodes in SIBs, mainly targeting the issue of poor cycling life attributed to the volume expansion of the material during sodium-ion extraction and insertion processes. However, the intrinsic electronic structure of transition metal selenides also influences electron transport and sodium-ion diffusion. Therefore, modulating their electronic structure can fundamentally improve the electron affinity of transition metal selenides, thereby enhancing their rate performance in SIBs. This work provides a comprehensive review of recent strategies focusing on the modulation of electronic structures and the construction of heterogeneous structures for transition metal selenides. These strategies effectively enhance their performance metrics as electrodes in SIBs, including fast charging, stability, and first-cycle coulombic efficiency, thereby facilitating the development of high-performance SIBs.

Negative charge-transfer energy in SrFeO3 revisited with hard x-ray photoemission spectroscopy

We report hard x-ray photoelectron spectroscopy on SrFeO3 which is one of the classical conducting transition-metal oxides with a noncollinear magnetic structure. The obtained spectra show a detailed charge-transfer (CT) satellite structure, the Fe 2p3/2 main peak exhibits multiplet splitting, and the deterioration signs present in previous reports are absent here, allowing for a better determination of its intrinsic electronic structure. The results are well described by a FeO6 cluster model with a charge-transfer energy of about −1.0 eV, confirming the values obtained in the previous works. The negative CT energy indicates that the electronic configuration of the tetravalent Fe is d5L rather than d4 where L represents an O 2p hole. The small spectral weight observed at the Fermi level indicates the correlated metallic state with localized Fe 3d electrons and mobile O 2p holes which are governed by a large d−d Coulomb interaction and negative CT energy. Published by the American Physical Society 2024

One-pot synthesis of platinum-samarium dendritic nanocrystals with tunable elemental compositions for efficient electrocatalytic methanol oxidation via f-d hybridization interaction

Metallic doping is widely recognized as an effective approach to modulate the intrinsic electronic structure of platinum (Pt)-based electrocatalysts, thereby enhancing their performance in fuel cells. Recent progress mainly focused on doping metals from d-block or p-block of the periodic table to promote d-d or p-d hybridization interactions, while f-block metals, such as rare earth metals, have received less attention. In this study, samarium (Sm)-doped Pt nanocrystals with a dendritic nanoparticle morphology were synthesized with precise control over their elemental composition. The key to achieving this unique morphology was the co-reduction of halide-free Pt and Sm precursors by glucose in the presence of cetyltrimethylammonium chloride (CTAC) in N-oleyl-1,3-propyldiamine (OPDA) at an elevated temperature. When employed as an electrocatalyst for the methanol oxidation reaction (MOR) in an alkaline medium, the optimized Pt86.4Sm13.6 nanodendrites/C exhibited nearly a 7-fold increase in specific activity, accelerated reaction kinetics, and enhanced long-term durability compared to commercial Pt/C. This improved electrocatalytic activity is attributed to the unconventional f–d hybridization interactions, which weaken CO binding and reduce the CO poisoning effect. The f-d hybridization interactions were further elucidated by density functional theory (DFT) calculations, which showed that the stronger interaction between OH and Sm-doped Pt(111) surface exhibits a benefit to combine with CO to form COOH and then release CO2, affirming the critical role of Sm-doping in improving the MOR activity. This research offers a viable strategy for creating rare earth metal-doped bimetallic nanocrystals with controlled morphology and may be extended to the rational design of high-performance fuel cell electrocatalysts based on f-d orbital hybridization.

First-Principles Study of Ti-Doping Effects on Hard Magnetic Properties of RFe11Ti Magnets

Due to the rare earth supply shortage, ThMn12-type RFe12-based (R is the rare earth element) magnets with lean rare earth content are gaining more concern. Most ThMn12-type RFe12 structures are thermodynamically metastable and require doping of the stabilizing element Ti. However, the Ti-doping effects on the hard magnetic properties of RFe11Ti have not been thoroughly investigated. Herein, based on density functional theory calculations, we report the Ti-doping effects on the phase stability, intrinsic hard magnetic properties and electronic structures of RFe11Ti (R = La, Ce, Pr, Nd, Sm, Y, Zr). Our results indicate that Ti-doping not only increases their phase stability, but also enhances the magnetic hardness of ground-state RFe12 phases. Particularly, it leads to the transition of CeFe11Ti and PrFe11Ti from easy-plane to easy-axis anisotropy. Charge density distributions demonstrate that Ti-doping breaks the original symmetry of the R-site crystal field, which alters the magnetic anisotropy of RFe11Ti. Projected densities of states reveal that the addition of Ti results in the shift of occupied and unoccupied f-electron energy levels of rare earth elements, affecting their magnetic exchange. This study provides an insight into regulating the hard magnetic properties of RFe12-based magnets by Ti-doping.

Defects engineering of nickel tellurium electrocatalyst to boost urea oxidation reaction: Electrodeposition mechanism and performance

The urea oxidation reaction (UOR) offers an attractive strategy to replace the oxygen evolution reaction (OER) for energy-saving hydrogen production due to its favorable thermodynamic property, but its development is hindered by the lack of efficient and cost-effective electrocatalysts. In this study, nickel-tellurium (Ni-Te) grown on 3D nickel foam was successfully synthesized using a simple and facile electrodeposition method. The electrodeposition process of Ni-Te follows the three-dimensional instantaneous nucleation/growth mechanism controlled by diffusion. The apparent activation energy (Ea) of Ni-Te in the electrodeposition process is as low as 36.5 kJ∙mol-1. Lattice distortion structure obtained by electrodeposition modifies the intrinsic electronic structure and optimizes the adsorption energy of intermediates. Thanks to the synergistic effects of fast electron transport, superhydrophilic surface and nanoflake structure, the prepared Ni-Te electrocatalyst shows excellent activity toward UOR with a low potential of 1.503 V vs. RHE at 100 mA·cm-2 and a small Tafel slope (63.6 mV·dec-1) in 1.0 M KOH containing 0.33 M urea solution.

Regulating the Electronic Structure of MAX Phases Based on Rare Earth Element Sc to Enhance Electromagnetic Wave Absorption.

MAX phases are highly promising materials for electromagnetic (EM) wave absorption because of their specific combination of metal and ceramic properties, making them particularly suitable for harsh environments. However, their higher matching thickness and impedance mismatching can limit their ability to attenuate EM waves. To address this issue, researchers have focused on regulating the electronic structure of MAX phases through structural engineering. In this study, we successfully synthesized a ternary MAX phase known as Sc2GaC MAX with the rare earth element Sc incorporated into the M-site sublayer, resulting in exceptional conductivity and impressive stability at high temperatures. The Sc2GaC demonstrates a strong reflection loss (RL) of -47.7 dB (1.3 mm) and an effective absorption bandwidth (EAB) of 5.28 GHz. It also achieves effective absorption of EM wave energy across a wide frequency range, encompassing the X and Ku bands. This exceptional performance is observed within a thickness range of 1.3 to 2.1 mm, making it significantly superior to other Ga-MAX phases. Furthermore, Sc2GaC exhibited excellent absorption performance even at elevated temperatures. After undergoing oxidation at 800 °C, it achieves a minimum RL of -28.3 dB. Conversely, when treated at 1400 °C under an argon atmosphere, Sc2GaC demonstrates even higher performance, with a minimum RL of -46.1 dB. This study highlights the potential of structural engineering to modify the EM wave absorption performance of the MAX phase by controlling its intrinsic electronic structure.

Theoretical exploration of band gap error dependency on band gap size in density functional theory Calculations: CdTe and GeTe as representative cases of two band structure semiconductor types

This study addresses the prevalent band gap error problem in density functional theory (DFT) with local density or generalized gradient approximation (LDA/GGA), widely considered as the “standard model” for investigating the band structure of semiconductors. Despite previous DFT efforts focusing on improving the exchange correlation energy to mitigate the underestimation of the band gap, the correlation between the band gap error and the intrinsic electronic structure of semiconductors has been overlooked. From two principal observations: (i) traditional semiconductors typically have a p-s type band structure, and (ii) a smaller band gap is linked to less underestimation, we derive two crucial questions: (i) How is band gap error manifested in s-p type semiconductors? (ii) Does the error vanish as the band gap approaches zero, akin to metals? Through the examination of CdTe and GeTe, representing p–s and s–p type semiconductors with strain-engineered band gaps, our calculations indicate that for CdTe, the band gap is underestimated, whereas for GeTe, it is overestimated. Significantly, these errors persist even as the band gap of semiconductors tends to zero, unlike in metals. This persistent discrepancy stems from the discontinuity in wavefunctions between the semiconductors' VBM and CBM.

Adjacent‐Confined Pyrolysis for High‐Density Phase Boundaries in Mo2C Nanosheets to Boost Oxygen Evolution

AbstractHeterostructure or doping engineering on Mo2C by coupling with transition metal nanoparticles/atoms can optimize catalytic activities for oxygen evolution reaction (OER). However, the intrinsic catalytic activity of Mo2C is not fully stimulated at the atomic level, which is challenging. Herein, an adjacent‐confined pyrolysis strategy to manipulate the intrinsic electronic structure of Mo2C directly is reported. During the nucleation and growth of Mo2C, the replacement of Mo atoms by adjacent Ni atoms induces the generation of high‐density phase boundaries (PBs) with alternating face‐centered cubic (fcc) and hexagonal close‐packed (hcp) hetero‐phase. The lattice deformity in PBs affords an ultrahigh density of active sites, endowing Mo2C nanosheets with excellent OER activity and superior stability. Theoretical calculations reveal that introduced Ni atoms activate the adjacent Mo sites and optimize the thermodynamic reaction energetics for enhanced OER activity. The work offers a general adjacent‐confined pyrolysis strategy to achieve PBs‐controlling in Mo2C nanosheets for catalytic application and beyond.

Synergistic promotion for the performance of photocatalytic carbon dioxide reduction by vacancy engineering and N-doped carbon nanotubes

The structural devise of photocatalytic materials are closely related to the separation of photogenerated carriers and the transport of charge, which is crucial to enhance the performance of photocatalytic carbon dioxide reduction reaction (CO2RR). Here, a photocatalyst (CdS-SV@Co@NCNT) has been successfully prepared by growing cadmium sulfide nanoparticles with sulfur vacancies on N-doped carbon nanotubes through a simple solvothermal method. The intrinsic electronic structure is regulated by sulfur vacancies to promote photocatalytic activity. Meanwhile, a larger specific surface area of Co@NCNT could expose more reaction sites and shorten the transfer distance of photogenerated carriers. Furthermore, the combination with Co@NCNT could effectively suppress the photocorrosion of CdS. The possible photocatalytic CO2RR path is further speculated by in-situ infrared test results, in which CO2 molecules adsorbed on sulfur vacancies preferentially generate important intermediate COOH*, which is then reduced to CO and CH4. Therefore, it exhibits a high CO yield of 263.3 μmol·g−1·h−1 and trace of CH4 while showing excellent stability. This research provides a novel idea for designing the photocatalysts with highly active and stability for CO2RR.

Synergizing copolymerization and thermal induction for carbon nitride: Reinforcing photocatalytic performance and mechanism insight

Structure optimization of photocatalyst graphitic carbon nitride (CN) is still a key endeavor. CN nanosheets were prepared via a facile one-pot copolymerization process, incorporating electron-withdrawing groups 5-cyanopyrimidine (CPM) and melamine under calcination. The synergistic effect of molecular doping and thermal induction effectively modulates the intrinsic electronic and band structure of CN. The post-optimized sample (CNMCPM0.03–700) exhibits a higher reduction potential, reduced nanosheet thickness, stronger crystallinity, and enhanced electron-holes separation efficiency, compared to pristine CN (CNM). Notably, significant morphological and textural alterations were observed in the modified CNMCPMX-T samples. Consequently, a remarkable enhancement in visible-light photocatalytic H2 evolution and CO2 reduction performance was achieved. Specifically, the CNMCPM0.03–700 retained an H2 evolution rate of 166.4 µmol·h−1, which was 14.8-fold higher than that of CNM (11.3 µmol·h−1), along with a 31.6-fold increase in CO evolution efficiency. Molecular and textural engineering demonstrate their universal applicability for different comonomers. This study showcases the feasibility of synergizing thermal induction and copolymerization strategies for synthesizing high-efficiency CN-based photocatalysts with unique topology and structural precision.

Pyrolysis-Free Covalent Organic Polymers Directly for Oxygen Electrocatalysis.

ConspectusOxygen electrode catalysis is crucial for the efficient operation of clean energy devices, such as proton exchange membrane fuel cells (PEMFCs) and Zn-air batteries (ZABs). However, sluggish oxygen electrocatalysis kinetics in these infrastructures put forward impending requirements toward seeking efficient oxygen-electrode catalytic materials with a clear active-site configuration and geometrical morphology to study in depth the structure-property relationship of materials. Although transition-metal-nitrogen-carbon (M-N-C) electrocatalysts have shown great prospects currently and potential in oxygen electrocatalysis as promising platinum group metal-free catalysts, the universal pyrolysis operation in the preparation process often inevitably brings about randomness and diversity of active sites, for which it is difficult to determine the structure-activity relationship, understand the catalytic mechanism, and further improve facilities performance.Covalent organic polymers (COPs) are a class of molecular geometric constructs linked by irreversible kinetic covalent bonds through reticular chemistry. Unique structural tailorability, diverse design principles, and inherent well-defined construction in pristine COPs naturally provide a great platform to study the structure-property relationship of active sites and exhibit unique features for application. In this Account, we afford an overview of our recent attempts toward the utilization of COP materials as free-pyrolysis oxygen electrode catalysts, enabling accurate construction of oxygen electrodes with clear active site and geometrical morphology characteristics in PEMFC and ZAB devices yet without enduring any high-temperature pyrolysis treatments. Starting from the needs of modern electrocatalysis, we discussed the unique properties for the design and development of pyrolysis-free pristine COPs as high-performance oxygen electrode catalytic materials in terms of intrinsic electronic structure properties and membrane-electrode-assembly (MEA) application distinguished from pyrolysis M-N-C catalysts. First, the pyrolysis-free COP catalysts provide a viable molecular model catalyst platform, which is conducive to mechanism comprehension for the relationship between catalyst activity and structure. Second, the simple and low-energy consumption synthesis process for pyrolysis-free catalysts lays the foundation for the large-scale production of catalysts, oxygen electrodes, and even the entire stack assembly without considering numerous complicated factors as traditional pyrolytic catalysts. Besides, most traditional COPs are difficult to dissolve and solution process due to their cross-linked skeleton. Our newly developed COP materials with solution processability bring about new opportunities to the process and assemble oxygen electrodes into device. These properties are unparalleled and have not been systematically reviewed and analyzed by any research reports so far. Here, we have clarified the specific advantage and potential of pyrolysis-free COP materials as oxygen electrodes applied in PEMFC and ZAB devices in response to the latest progress and requirements of current electrocatalytic research.

Ni(OH)2 nanosheets decorated with FeCoPi on NiO heterostructures: tunable intrinsic electronic structures for improved overall water splitting.

Herein, we demonstrate the rational design of 3-dimensional nickel double hydroxide nanosheets decorated with iron-cobalt phosphide on nickel oxide (Ni(OH)2@FexCo1-xPi|NiO) heterostructures for achieving improved overall water splitting. The as-optimized Ni(OH)2@FexCo1-xPi|NiO heterostructures exhibited an overpotential (η) of ∼133 mV and ∼173 mV at 10 mA cm-2 for the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER), respectively, in an alkaline electrolyte through a tunable electronic interaction and stabilization of the active Ni(OH)2 and FeCoPi interface.

Phase control of solid-solution RuIn nanoparticles and their catalytic properties.

The properties of solids could be largely affected by their crystal structures. We achieved, for the first time, the phase control of solid-solution RuIn nanoparticles (NPs) from face-centred cubic (fcc) to hexagonal close-packed (hcp) crystal structures by hydrogen heat treatment. The effect of the crystal structure of RuIn alloy NPs on the catalytic performance in the hydrogen evolution reaction (HER) was also investigated. In the hcp RuIn NPs, enhanced HER catalytic performance was observed compared to the fcc RuIn NPs and monometallic Ru NPs. The intrinsic electronic structures of the NPs were investigated by valence-band X-ray photoelectron spectroscopy (VB-XPS). The d-band centre of hcp RuIn NPs obtained from VB-XPS was deeper than that of fcc RuIn NPs and monometallic Ru NPs, which is considered to enable the hcp RuIn NPs to exhibit enhanced HER catalytic performance.

N/P-doped NiFeV oxide nanosheets with oxygen vacancies as an efficient electrocatalyst for the oxygen evolution reaction.

Plasma treatment as an effective strategy can simultaneously achieve surface modification and heteroatom doping. Here, an N/P-doped NiFeV oxide nanosheet catalyst (N/P-NiFeVO) constructed by Ar/PH3 plasma treatment is used to drive the oxygen evolution reaction (OER). The introduction of V species leads to the formation of an ultrathin ordered nanostructure and exposure of more active sites. Compared to the 2D NiFeV LDH, the prepared N/P-NiFeVO by plasma treatment possesses multiple-valence Fe, V and Ni species, which regulate the intrinsic electronic structure and enable a superior catalytic activity for the OER in alkaline media. Specifically, the N/P-NiFeVO only require an overpotential of 273 mV to drive the current density of 100 mA cm-2. What's more, the electrode can maintain a stable current density in a long-term oxygen evolution reaction (∼120 h) under alkaline conditions. This work provides new insight for the rational design of mixed metal oxides for OER electrocatalysts.

Plasma-induced vacancy defects of Ru-doped CoFe layered double hydroxide for superior oxygen evolution activity

CoFe layered double hydroxide (CoFe LDH) can serve as a cost-effective and active electrocatalyst for oxygen evolution reaction (OER). Unfortunately, it still faces the challenges of low electrical conductivity, stability and limited active sites to achieve the threshold current density with low overpotential. In this study, the strategy of Ru doped together with air plasma treatment was proposed to improve the OER performances of CoFe LDH. The doping of Ru and air plasma process could induce electronic interaction and the oxygen defects to regulate the electronic structure. Significantly, the air plasma treated Ru doped CoFe LDH (P-Ru-CoFe LDH) catalyst achieved superior catalytic properties to the CoFe LDH and RuO2 benchmarks, which was demonstrated by a relatively smaller overpotential of 275 mV at 10 mA cm−2 and a lower Tafel slope of 107 mV dec−1 for OER. In addition, it also maintained an excellent stability in long-term chronoamperometry test. In general, P-Ru-CoFe LDH catalyst could boost the OER performance through intrinsic electronic structure adjustment with Ru doped and air plasma process. These findings provide an effective pathway to design/develop OER electrocatalysts with high performances by internal electron coupling effects.