Decouple charge transfer reactions in the Li-ion battery

In the development of Li-ion batteries(LIBs)with high energy/power density,long cycle-life,fast charging,and high safety,an insight into charge transfer reactions is required.Although electrochemical impedance spectroscopy(EIS)is regarded as a powerful diagnosis tool,it is not a direct but an indirect measurement.With respect to this,some critical questions need to be answered:(i)why EIS can reflect the kinetics of charge transfer reactions;(ii)what the inherent logical relationship between impedance models under different physical scenes is;(iii)how charge transfer reactions compete with each other at multiple scales.This work aims at answering these questions via developing a theory framework so as to mitigate the blindness and uncertainty in unveiling charge transfer reactions in LIBs.To systematically answer the above questions,this article is organized into a three-in-one(review,tutorial,and research)type and the following contributions are made:(i)a brief review is given for impedance model development of the LIBs over the past half century;(ii)an open source code toolbox is developed based on the unified impedance model;(iii)the competive mechanisms of charge transfer reactions are unveiled based on the developed EIS-Toolbox@LIB.This work not only clarifies theoretical fundamentals,but also provides an easy-to-use open source code for EIS-Toolbox@LIB to optimize fast charge/discharge,mitigate cycle aging,and improve energy/power density.

Energetic and Entropic Changes in Volume Work and Chemical Reactions

In the present study, energetic and entropic changes are investigated on a comparative basis, as they occur in the volume changes of an ideal gas in the Carnot cycle and in the course of the chemical reaction in a lead-acid battery. Differences between reversible and irreversible processes have been worked out, in particular between reversibly exchanged entropy (∆eS) and irreversibly produced entropy (∆iS). In the partially irreversible case, ∆eS and ∆iS add up to the sum ∆S for the volume changes of a gas, and only this function has an exact differential. In a chemical reaction, however, ∆eS is independent on reversibility. It arises from the different intramolecular energy contents between products and reactants. Entropy production in a partially irreversible Carnot cycle is brought about through work-free expansions, whereas in the irreversible battery reaction entropy is produced via activated complexes, whereby a certain, variable fraction of the available chemical energy becomes transformed into electrical energy and the remaining fraction dissipated into heat. The irreversible reaction process via activated complexes has been explained phenomenologically. For a sufficiently high power output of coupled reactions, it is essential that the input energy is not completely reversibly transformed, but rather partially dissipated, because this can increase the process velocity and consequently its power output. A reduction of the counter potential is necessary for this purpose. This is not only important for man-made machines, but also for the viability of cells.

Prevention and Nursing of Adverse Reactions of Novel Coronavirus Inactivated Vaccine (Vero Cells)

Objective:To discuss and analyze the causes of adverse reactions caused by the inactivated novel coronavirus vaccine(Vero cells),and to propose methods of prevention and care.Methods:A questionnaire was used to randomly select 229 adults who were vaccinated with the inactivated novel coronavirus vaccine(Vero cells)at Xi’an People’s Hospital(Xi’an Fourth Hospital).The adverse reactions were statistically analyzed.Results:Among the 229 adults vaccinated with the inactivated novel coronavirus vaccine(Vero cells),30 experienced vaccination reactions.The main reaction was local induration at the inoculation site,and dizziness was the primary systemic symptom.Conclusion:To reduce the incidence of adverse reactions to the inactivated novel coronavirus vaccine(Vero cells),it is necessary to effectively evaluate the health status of adults before vaccination,select the correct vaccination site,and strictly implement the rules of 3-inspections,7-checks,and 1-verification.Standardizing the operation process and providing thorough health education after vaccination can effectively reduce the occurrence of adverse reactions.

“Buckets effect”in the kinetics of electrocatalytic reactions

In this study,we systematically investigated the effect of proton concentration on the kinetics of the oxygen reduction reaction(ORR)on Pt(111)in acidic solutions.Experimental results demonstrate a rectangular hyperbolic relationship,i.e.,the ORR current excluding the effect of other variables increases with proton concentration and then tends to a constant value.We consider that this is caused by the limitation of ORR kinetics by the trace oxygen concentration in the solution,which determines the upper limit of ORR kinetics.A model of effective concentration is further proposed for rectangular hyperbolic relationships:when the reactant concentration is high enough to reach a critical saturation concentration,the effective reactant concentration will become a constant value.This could be due to the limited concentration of a certain reactant for reactions involving more than one reactant or the limited number of active sites available on the catalyst.Our study provides new insights into the kinetics of electrocatalytic reactions,and it is important for the proper evaluation of catalyst activity and the study of structureperformance relationships.

Study on synergistic leaching of potassium and phosphorus from potassium feldspar and solid waste phosphogypsum via coupling reactions

To achieve the resource utilization of solid waste phosphogypsum(PG)and tackle the problem of utilizing potassium feldspar(PF),a coupled synergistic process between PG and PF is proposed in this paper.The study investigates the features of P and F in PG,and explores the decomposition of PF using hydrofluoric acid(HF)in the sulfuric acid system for K leaching and leaching of P and F in PG.The impact factors such as sulfuric acid concentration,reaction temperature,reaction time,material ratio(PG/PF),liquid–solid ratio,PF particle size,and PF calcination temperature on the leaching of P and K is systematically investigated in this paper.The results show that under optimal conditions,the leaching rate of K and P reach more than 93%and 96%,respectively.Kinetics study using shrinking core model(SCM)indicates two significant stages with internal diffusion predominantly controlling the leaching of K.The apparent activation energies of these two stages are 11.92 kJ·mol^(-1)and 11.55 kJ·mol^(-1),respectively.

Selective photosynthesis of Z-olefins through crystalline metal-organic cage-initiated expeditious cascade reactions

The semi-hydrogenation of alkyne to form Z-olefins with high conversion and high selectivity is still a huge challenge in the chemical industry.Moreover,flammable and explosive hydrogen as the common hydrogen source of this reaction increases the cost and danger of industrial production.Herein,we connect the photocatalytic hydrogen evolution reaction and the semihydrogenation reaction of alkynes in series and successfully realize the high selective production of Z-alkenes using low-cost,safe,and green water as the proton source.Before the cascade reaction,a series of isomorphic metal–organic cage catalysts(Co_(x)Zn_(8−x)L_(6),x=0,3,4,5,and 8)are designed and synthesized to improve the yield of the photocatalytic hydrogen production.Among them,Co_(5)Zn_(3)L_(6) shows the highest photocatalytic activity,with a H_(2) generation rate of 8.81 mmol g^(−1) h^(−1).Then,Co_(5)Zn_(3)L_(6) is further applied in the above tandem reaction to efficiently reduce alkynes to Z-alkenes under ambient conditions,which can reach high conversion of>98%and high selectivity of>99%,and maintain original catalytic activity after multiple cycles.This“one-pot”tandem reaction can achieve a highly selective and safe stepwise conversion from water into hydrogen into Z-olefins under mild reaction conditions.

Possibilities for the synthesis of superheavy element Z=121 in fusion reactions

Based on the dinuclear system model,the calculated evaporation residue cross sections matched well with the current experimental results.The synthesis of superheavy elements Z=121 was systematically studied through combinations of stable projectiles with Z=21-30 and targets with half-lives exceeding 50 d.The influence of mass asymmetry and isotopic dependence on the projectile and target nuclei was investigated in detail.The reactions^(254)Es(^(46)Ti,3n)^(297)121 and^(252)Es(^(46)Ti,3n)^(295)121 were found to be experimentally feasible for synthesizing superheavy element Z=121,with maximal evaporation residue cross sections of 6.619 and 4.123 fb at 219.9 and 223.9 MeV,respectively.

Experimental study on reactions between alkaline basaltic melt and orthopyroxenes: constraints on the evolution of lithospheric mantle in the North China Craton

The experimental results of the reactions between an alkaline basaltic melt and mantle orthopyroxenes under high-temperature and high-pressure conditions of 1300–1400℃ and 2.0–3.0 GPa using a six-anvil apparatus are reported in this paper.The reactions are proposed to simulate the interactions between melts from the asthenospheric mantle and the lithospheric mantle.The starting melt in the experiments was made from the alkaline basalt occurring in Fuxin,Liaoning Province,and the orthopyroxenes were separated from the mantle xenoliths in Damaping,Hebei Province.The results show that clinopyroxenes were formed in all the reactions between the alkaline basaltic melt and orthopyroxenes under the studied P–T conditions.The formation of clinopyroxene in the reaction zone is mainly controlled by dissolution–crystallization,and the chemical compositions of the reacted melt are primarily infl uenced by the diff usion eff ect.Temperature is the most important parameter controlling the reactions between the melt and orthopyroxenes,which has a direct impact on the melting of orthopyroxenes and the diff usion of chemical components in the melt.Temperature also directly controls the chemical compositions of the newly formed clinopyroxenes in the reaction zone and the reacted melt.The formation of clinopyroxenes from the reactions between the alkaline basaltic melt and orthopyroxenes can result in an increase of CaO and Al_(2)O_(3) contents in the rocks containing this mineral.Therefore,the reactions between the alkaline basaltic melt from the asthenospheric mantle and orthopyroxenes from the lithospheric mantle can lead to the evolution of lithospheric mantle in the North China Craton from refractory to fertile with relatively high CaO and Al 2 O 3 contents.In addition,the reacted melts in some runs were transformed from the starting alkaline basaltic into tholeiitic after reactions,indicating that tholeiitic magma could be generated from alkaline basaltic one via reactions between the latter and orthopyroxene.

Petrology of Spinel-Lherzolite Xenoliths from Mazéléand Others Northen Xenoliths Localities of Cameroon Volcanic Line: Exchange Reactions and Equilibrium State

The alkaline volcanism of the Cameroon Volcanic Line in its northern domain has raised many fresh enclaves of peridotites. The samples selected come from five (05) different localities (Liri, in the plateau of Kapsiki, Mazélé in the NE of Ngaoundéré, Tello and Ganguiré in the SE of Ngaoundéré and Likok, locality located in the west of Ngaoundé). The peridotite enclaves of the above localities show restricted mineralogical variation. Most are four-phase spinel-lherzolites, indicating that this is the main lithology that forms the lithospheric mantle below the shallow zone. No traces of garnet or primary plagioclase were detected, which strongly limits the depth range from which the rock fragments were sampled. The textures and the wide equilibrium temperatures (884˚C - 1115˚C) indicate also entrainment of lherzolite xenoliths from shallow depths within the lithosphere and the presence of mantle diapirism. The exchange reactions and equilibrium state established in this work make it possible to characterize the chemical composition of the upper mantle of each region and test the equilibrium state of the phases between them. Variations of major oxides and incompatible elemental concentrations in clinopyroxene indicate a primary control by partial melting. The absence of typical “metasomatic” minerals, low equilibration temperatures and enriched LREE patterns indicate that the upper mantle below septentrional crust of Cameroun underwent an event of cryptic metasomatic enrichment prior to partial melting. The distinctive chemical features, LREE enrichment, strong U, Ce and Pr, depletion relative to Ba, Nb, La, Pb, and T, fractionation of Zr and Hf and therefore ligh high Zr/Hf ratio, low La/Yb, Nb/La and Ti/Eu are all results of interaction of refractory peridotite residues with carbonatite melts.

Why Don’t We Adequately Identify and Manage Adverse Drug Reactions despite Having the Needed Information?

Importance/Objective: Adverse Drug Reactions (ADRs) are unavoidable, but recognizing and addressing ADRs early can improve wellness and prevent permanent injury. We suggest that available medical information and digital/electronic methods could be used to manage this major healthcare problem for individual patients in real time. Methods: We searched the available digital applications and three literature databases using the medical subject heading terms, adverse drug reaction reporting systems or management, filtered by clinical trial or systemic reviews, to detect publications with data about ADR identification and management approaches. We reviewed the reports that had abstract or summary data or proposed or implemented methods or systems with potential to identify or manage ADRs in clinical settings. Results: The vast majority of the 481 reports used retrospectively collected data for groups of patients or were limited to surveying one population group or class of medication. The reports showed potential and definite associations of ADRs for specific drugs and problems, mostly, but not exclusively, for patients in hospitals and nursing homes. No reports described complete methods to collect comprehensive data on ADRs for individual patients in a healthcare system. The digital applications have ADR information, but all are too cumbersome or incomplete for use in active clinical settings. Several studies suggested that providing information about potential ADRs to clinicians can reduce these problems. Conclusion and Relevance: Although investigators and government agencies agree with the need, there is no comprehensive ADR management program in current use. Informing the patient’s healthcare practitioners of potential ADRs at the point of service has the potential for reduction of these complications, which should improve healthcare and reduce unneeded costs.

Deciphering engineering principle of three-phase interface for advanced gas-involved electrochemical reactions

As an alternative to conventional energy conversion and storage reactions,gas-involved electrochemical reactions,including the carbon dioxide reduction reaction(CO_(2)RR),nitrogen reduction reaction(NRR)and hydrogen evolution reaction(HER),have become an emerging research direction and have gained increasing attention due to their advantages of environmental friendliness and sustainability.Various studies have been designed to accelerate sluggish kinetics but with limited results.Most of them promote the reaction by modulating the intrinsic properties of the catalyst,ignoring the synergistic effect of the reaction as a whole.Due to the introduction of gas,traditional liquid-solid two-phase reactions are no longer applicable to future research.Since gas-involved electrochemical reactions mostly occur at the junctions of gaseous reactants,liquid electrolytes and solid catalysts,the focus of future research on reaction kinetics should gradually shift to three-phase reaction interfaces.In this review,we briefly introduce the formation and constraints of the three-phase interface and propose three criteria to judge its merit,namely,the active site,mass diffusion and electron mass transfer.Subsequently,a series of modulation methods and relevant works are discussed in detail from the three improvement directions of‘exposing more active sites,promoting mass diffusion and accelerating electron transfer’.Definitively,we provide farsighted insights into the understanding and research of three-phase interfaces in the future and point out the possible development direction of future regulatory methods,hoping that this review can broaden the future applications of the three-phase interface,including but not limited to gas-involved electrochemical reactions.

Theoretical uncertainties of(d,^(3)He)and(^(3)He,d)reactions owing to the uncertainties of optical model potentials

The theoretical uncertainties of single proton transfer cross sections of the(^(3)He,d)and(d,^(3)He)reactions,owing to the uncertainties of the entrance-and exit-channel optical model potentials,are examined with the^(30)Si(^(3)He,d)^(31)P,^(13)B(d,^(3)He)^(12)Be,and^(34)S(^(3)He,d)^(35)Cl reactions at incident energies of 25,46,and 25 MeV,respectively,within the framework of the distorted wave Born approximation.The differential cross sections at the first peaks in the angular distributions of these reactions are found to have uncertainties of approximately 5%,owing to the uncertainties in the optical model potentials from 20,000 calculations of randomly sampled parameters.This amount of uncertainty is found to be nearly independent of the angular momentum transfer and the target masses within the studied range of incident energies.Uncertainties in the single proton spectroscopic factors obtained by matching the theoretical and experimental cross sections at different scattering angles are also discussed.

Advanced In Situ Characterization Techniques for Direct Observation of Gas-Involved Electrochemical Reactions

Gas-involved electrochemical reactions provide feasible solutions to the worldwide energy crisis and environmental pollution.It has been recognized that various elements of the reaction system,including catalysts,intermediates,and products,will undergo real-time variations during the reaction process,which are of significant meaning to the in-depth understanding of reaction mechanisms,material structure,and active sites.As judicious tools for real-time monitoring of the changes in these complex elements,in situ techniques have been exposed to the spotlight in recent years.This review aims to highlight significant progress of various advanced in situ characterization techniques,such as in situ X-ray based technologies,in situ spectrum technologies,and in situ scanning probe technologies,that enhance our understanding of heterogeneous electrocatalytic carbon dioxide reduction reaction,nitrogen reduction reaction,and hydrogen evolution reaction.We provide a summary of recent advances in the development and applications of these in situ characterization techniques,from the working principle and detection modes to detailed applications in different reactions,along with key questions that need to be addressed.Finally,in view of the unique application and limitation of different in situ characterization techniques,we conclude by putting forward some insights and perspectives on the development direction and emerging combinations in the future.

Cryoactivated proton-involved redox reactions enable stable-cycling fiber cooper metal batteries operating at-50℃

Fiber-shaped batteries that feature outstanding flexibility,light weight,and wovenability are extremely attractive for powering smart wearable electronic textiles,which further stimulates their demand in extreme environments.However,there are rare reports on ultralow-temperature fiber batteries to date.This is mainly attributed to the poor conductivity of electrodes and freezing of electrolytes that restrain their satisfactory flexible operation in cold environments.Herein,we propose a fiber cooper metal battery consisting of a conductive polyaniline cathode,an anti-freezing Cu(BF4)2+H3PO4electrolyte and an acidresistant copper wire anode,which can withstand various deformations at ultralow temperatures.Impressively,enhanced capacity and cyclic stability can be achieved by cryoactivated abundant reactive sites in the polyaniline,while benefiting from redox reactions with rapid kinetics involving protons rather than copper ions.Consequently,this well-designed polyaniline/Cu fiber battery delivers excellent flexibility without obvious capacity decay after being bent at-30℃,as well as a remarkable discharge capacity of 120.1 mA h g-1and a capacity retention of 96.8%after 2000 cycles at-50℃.The fiber batteries integrated into wearable textiles can power various electronic devices.These performances greatly outperform those of most reported works.Overall,this work provides a promising strategy toward applications of cryogenic wearable energy storage devices.

Differences in CO_(2)-Water-Rock Chemical Reactions among ’Sweet Spot’ Reservoirs:Implications for Carbon Sequestration

The Lucaogou Formation,located in the Jimsar Sag,Junggar Basin,NW China,has great potential for shale oil resources.In the process of CO_(2)-EOR(CO_(2) enhance oil recovery),mineral dissolution,precipitation and transformation,leading to the local corrosion or blockage of reservoirs,have a significant influence on recovery.In this study,a combination of high-temperature and high-pressure laboratory experiments and coupled temperature/fluid-chemistry multifield numerical simulations are used to investigate CO_(2)-water-rock reactions under various reservoir conditions in the upper and lower ’sweet spots’,to reveal the mechanisms underlying CO_(2)-induced mineral dissolution,precipitation and transformation.In addition,we quantitatively calculated the evolution of porosity over geological timescales;compared and analyzed the variability of CO_(2) transformation in the reservoir under a variety of temperature,lithology and solution conditions;and identified the main factors controlling CO_(2)-water-rock reactions,the types of mineral transformation occurring during long-term CO_(2) sequestration and effective carbon sequestration minerals.The results demonstrate that the main minerals undergoing dissolution under the influence of supercritical CO_(2) are feldspars,while the main minerals undergoing precipitation include carbonate rock minerals,clay minerals and quartz.Feldspar minerals,especially the initially abundant plagioclase in the formation,directly affects total carbon sequestration,feldspar-rich clastic rocks therefore having considerable sequestration potential.

Prediction of synthesis cross sections of new moscovium isotopes in fusion‑evaporation reactions

In the framework of the dinuclear system model,the synthesis mechanism of the superheavy nuclides with atomic numbers Z=112,114,115 in the reactions of projectiles 40,^(48)Ca bombarding on targets^(238)U,^(242)Pu,and^(243)Am within a wide interval of incident energy has been investigated systematically.Based on the available experimental excitation functions,the dependence of calculated synthesis cross-sections on collision orientations has been studied thoroughly.The total kinetic energy(TKE)of these collisions with fixed collision orientation shows orientation dependence,which can be used to predict the tendency of kinetic energy diffusion.The TKE is dependent on incident energies,as discussed in this paper.We applied the method based on the Coulomb barrier distribution function in our calculations.This allowed us to approximately consider all the collision orientations from tip-tip to side-side.The calculations of excitation functions of^(48)Ca+^(238)U,^(48)Ca+242Pu,and^(48)Ca+^(243)Am are in good agreement with the available experimental data.The isospin effect of projectiles on production cross-sections of moscovium isotopes and the influence of the entrance channel effect on the synthesis cross-sections of superheavy nuclei are also discussed in this paper.The synthesis cross-section of new moscovium isotopes 278−286 Mc was predicted to be as large as hundreds of pb in the fusion-evaporation reactions of^(35,37)Cl+^(248)Cf,^(38,40)Ar+^(247)Bk,^(39,41)K+247 Cm,^(40,42,44,46)Ca+^(243)Am,45 Sc+^(244)Pu,and^(46,48,50)Ti+237Np,51 V+^(238)U at some typical excitation energies.

Production of neutron-rich actinide isotopes in isobaric collisions via multinucleon transfer reactions

We systematically calculated the multinucleon transfer reactions of ^(208)Os,^(208)Pt,^(208)Hg,^(208)Pb,^(208)Po,^(208)Rn,^(208)Ra,and ^(132,136) Xe when bombarded on ^(232) Th and ^(248) Cm at Coulomb barrier energies within the dinuclear system model.These results are in good agreement with the available experimental data.The influence of Coulomb and shell effects on actinide production in these reactions has been rigorously studied.We calculated and analyzed the potential energy surface (PES) and total kinetic energy (TKE) mass distributions for the reactions involving ^(208)Hg,^(208)Pb,and ^(208) Po with ^(248) Cm and ^(232)Th.The PES and TKE spectra shed light on the fragment formation mechanisms in multinucleon transfer reactions,with clear indications of isospin and shell effects.The production cross sections for multinucleon transfer products show a strong dependence on isobar projectiles with a mass number A=208.Isobar projectiles with high N/Z ratios are advantageous for generating neutron-rich target-like fragments.Conversely,products induced by isobar projectiles with larger charge numbers tend to shift toward proton-rich regions.The intertwining of the Coulomb potential and shell effect is evident in the production cross sections of actinide isotopes.Drawing from reactions induced by radioactive projectiles,we anticipate the discovery of several new actinide isotopes near the nuclear drip lines,extending our reach into the superheavy nuclei domain.

Degradation of differently processed Mg-based implants leads to distinct foreign body reactions(FBRs)through dissimilar signaling pathways

Mg alloys have mechanical properties compatible with human bones.However,their rapid degradation and associated foreign body reactions in vivo significantly limit their application for human implants.In this study,three differently processed Mg alloys,pure Mg(PM),cold extruded Mg alloy AZ31(CE AZ31),and fully annealed AZ31 Mg alloy(FA AZ31)were comparatively investigated for their potential as implants using a rat model.All three implanted Mg alloys do not show any impact on hepato-and renal function,nor any signs of observable changes to vital organs.Proteomics analysis of tissues directly contacting the implants 2.5 months post implantation revealed that FA AZ31 activates very few inflammation and immune associated signaling pathways;while the CE AZ31 and PM produce more significant inflammatory responses as confirmed by cytokine array analyses.Further,FA AZ31 activated pathways for cell organization and development that may improve the recovery of injured tissues.Structurally,EBSD analysis reveals that the FA AZ31 alloy has a higher ratio of first-order pyramidal orientated(10–11){10–1–2}grain texture with a value of 0.25,while PM and CE AZ31 alloys have lower ratios of first-order pyramidal orientated texture with the values of 0.16 and 0.17,respectively.This is associated with recovery and recrystallisation during annealing which promotes grain texture which exhibits enhanced degradation behaviours and induces a more limited immune response in vivo.In conclusion,the FA AZ31 demonstrated better biocompatibility and corrosion resistance and is a promising candidate for metal-based degradable implants which warrants further investigation.

Geophysical Reactions to Remote 2022 Tonga Eruption and to Türkiye Earthquakes in Georgia (Caucasus): Hydrogeology, Geomagnetics and Seismicity

The paper is devoted to analysis of hydrogeological, geomagnetic and seismic response to the two great remote geophysical events, 2022 Tonga volcano eruption and 2020-2023 Türkiye earthquakes in Georgia (Caucasus). The geophysical observation system in Georgia, namely, water level stations in the network of deep wells, atmospheric pressure and the geomagnetic sensors of the Dusheti Geophysical Observatory (DGO) as well as seismic data in Garni Observatory (Armenia) respond to the Tonga event by anomalies in the time series. These data show that there are two types of respond: infrasound disturbances in atmospheric pressure and seismic waves in the Earth generated by the eruption. After Tonga eruption January 15 at 04:21 UTC three groups of N-shaped waveforms were registered in the water level corresponding to the global propagation characteristics of the N-shaped waveform of infrasound signals on the barograms generated by eruption at the distance ~15,700 km: they were identified as the Lamb wave, a surface wave package running in the atmosphere with a velocity around ~314 m/s. The paper also presents the WL reactions to three strong EQs that occur in Türkiye 2020-2023, namely Elazığ, Van and Türkiye-Syria EQs. WL in Georgian well network reacts to these events by anomalies of different intensity, which points to the high sensitivity of hydrosphere to remote (several hundred km) strong EQs. The intensity and character of WL reactions depend strongly on the local hydrogeological properties of rocks, surrounding the well.

Facet Engineering of Advanced Electrocatalysts Toward Hydrogen/Oxygen Evolution Reactions

The electrocatalytic water splitting technology can generate highpurity hydrogen without emitting carbon dioxide,which is in favor of relieving environmental pollution and energy crisis and achieving carbon neutrality.Electrocatalysts can effectively reduce the reaction energy barrier and increase the reaction efficiency.Facet engineering is considered as a promising strategy in controlling the ratio of desired crystal planes on the surface.Owing to the anisotropy,crystal planes with different orientations usually feature facet-dependent physical and chemical properties,leading to differences in the adsorption energies of oxygen or hydrogen intermediates,and thus exhibit varied electrocatalytic activity toward hydrogen evolution reaction(HER)and oxygen evolution reaction(OER).In this review,a brief introduction of the basic concepts,fundamental understanding of the reaction mechanisms as well as key evaluating parameters for both HER and OER are provided.The formation mechanisms of the crystal facets are comprehensively overviewed aiming to give scientific theory guides to realize dominant crystal planes.Subsequently,three strategies of selective capping agent,selective etching agent,and coordination modulation to tune crystal planes are comprehensively summarized.Then,we present an overview of significant contributions of facet-engineered catalysts toward HER,OER,and overall water splitting.In particular,we highlight that density functional theory calculations play an indispensable role in unveiling the structure–activity correlation between the crystal plane and catalytic activity.Finally,the remaining challenges in facet-engineered catalysts for HER and OER are provided and future prospects for designing advanced facet-engineered electrocatalysts are discussed.