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| 1 | Nickel cobalt phosphide with three-dimensional nanostructure as al highly efficient electrocatalyst for hydrogen evolution reaction in both I acidic and alkaline electrolytes显示文摘Transition metal phosphides (TMPs) are promising candidates for noble metal free electrocatalysts in water splitting applicati ons. In this work, we prese nt the facile syn thesis of nickel cobalt phosphide electrocatalyst with three-dime nsional nano structure (3D-NiCoP) on the nickel foam, via hydrothermal reaction and phosphorization. The as-prepared electrocatalyst exhibits an excellent activity for hydrogen evolution reaction (HER) in both acidic and alkaline electrolytes, with small overpotentials to drive 10 mA/cm^2 (80 mV for 0.5 M H2SO4, 105 mV for 1 M KOH), small Tafel slopes (37 mV/dec for 0.5 M H2SO4, 79 mV/dec for 1 M KOH), and satisfying durability in long-term electrolysis. 3D-NiCoP also shows a superior HER activity compared to single metal phosphide, such as cobalt phosphide and nickel phosphide. The outstanding performa nee for HER suggests the great pote ntial of 3D-NiCoP as a highly efficient electrocatalyst for water splitting technology. | Bo Ma Zhengchun Yang Yantao Chen Zhihao Yuan | 2019 | Nano Research2019，12，2： | 14 |
| 2 | Sisyphus effects in hydrogen electrochemistry on metal silicides enabled by silicene subunit edge显示文摘Nonmetal elements strictly govern the electrochemical performance of molybdenum compounds.Yet,the exact role played by nonmetals during electrocatalysis remains largely obscure.With intermetallic MoSi_2comprising silicene subunits,we present an unprecedented hydrogen evolution reaction(HER)behavior in aqueous alkaline solution.Under continuous operation,the HER activity of MoSi_2shows a more than one order of magnitude improvement in current density from 1.1 to 21.5 mA cm^(à2)at 0.4 V overpotential.Meanwhile,this activation behavior is highly reversible,such that voltage withdrawal leads to catalyst inactivation but another operation causes reactivation.Thus,the system shows dynamics strikingly analogous to the legendary Sisyphus’labor,which drops and recovers in a stepwise manner repeatedly,but never succeeds in reaching the top of the mountain.Isomorphic WSi_2behaves almost the same as MoSi_2,whereas other metal silicides with silicyne subunits,including CrSi_2and TaSi_2,do not exhibit any anomalous behavior.A thin amorphous shell of MoSi_2is observed after reaction,within which the Si remains partially oxidized while the oxidation state of Mo is basically unchanged.First-principles calculations further reveal that the adsorption of hydroxide ions on silicene subunit edges and the subsequent Si vacancy formation in MoSi_2jointly lead to the anomalous HER kinetics of the adjacent Mo active centers.This work demonstrates that the role of nonmetal varies dramatically with the electronic and crystallographic structures of silicides and that silicene structural subunit may serve as a promoter for boosting HER in alkaline media. | Zechao Zhuang Yong Li Jiazhao Huang Zilan Li Kangning Zhao Yunlong Zhao Lin Xu Liang Zhou Lyudmila V. Moskaleva Liqiang Mai | 2019 | Science Bulletin2019，64，9： | 12 |
| 3 | Few-layered ReS_2 nanosheets grown on graphene as electrocatalyst for hydrogen evolution reaction显示文摘Few-layered ReS_2 two-dimensional(2 D) semiconductor nanosheets directly nucleated and grown on reduced graphene oxide(RGO) were synthesized through a facile hydrothermal method. Compared with bare ReS_2, the ReS2/RGO hybrid delivers much better electrocatalytic activity for hydrogen evolution reaction(HER) in acidic media. It exhibits a lower Tafel slope of 107.4 mV dec^(-1)and a larger current density of-5.2 mA·cm^(-2) at-250 mV(vs. RHE),compared with ReS_2(152.7 mV·dec^(-1),-3.1 mA·cm^(-2)). The ReS_2/RGO hybrid has a unique architecture constructed by highly conductive and porous RGO internetworks, which guarantees easy electrolyte infiltration and efficient charge transfer and provides sufficient active edge sites, resulting in enhanced HER performance. The present synthesis approach can be extended to synthesize other 2 D-semiconductor-based composites for energy storage and catalytic devices. | Han Gao Hu-Hu Yue Fei Qi Bo Yu Wan-Li Zhang Yuan-Fu Chen | 2018 | Rare Metals2018，37，12： | 10 |
| 4 | Synthesis of TiO2@ZnIn2S4 hollow nanospheres with enhanced photocatalytic hydrogen evolution显示文摘In this work,we designed and prepared the novel TiO2@ZnIn2 S4 nano-sized hollow structure via templating method assisted by hydrothermal synthesis process.Its unique hollow structure and type-II heterojunction between TiO2 hollow nanospheres and ZnIn2 S4 nanosheet can provide enough interior cavities and transfer paths for the light absorption and charge quick migration.The crystal structure,morphology and charges separation property were measured.The characterization results show that the hollow-structured Ti O2@ZnIn2 S4 was successfully prepared,and the optimal sample exhibited excellent photocatalytic hydrogen generation compared with TiO2/ZnIn2 S4 cluster exceeding by a factor of 1.1 under overall light irradiation.Specially,the detailed mechanism of the photocatalytic H2 evolution and charge carrier migration for the as-prepared TiO2@ZnIn2 S4 hollow nanosphere was also studied. | He Li Zi-Hao Chen Lei Zhao Gui-Dong Yang | 2019 | Rare Metals2019，38，5： | 9 |
| 5 | Enhanced hydrogen evolution reaction over molybdenum carbide nanoparticles confined inside single-walled carbon nanotubes显示文摘Carbon nanotubes(CNTs) have shown as unique nanoreactors to tune the catalytic activity of confined nano-catalysts. Here we report that the catalytic performance of molybdenum carbide nanoparticles(MoC_x NPs) for the hydrogen evolution reaction(HER) process can be enhanced by encapsulation within single-walled carbon nanotubes(SWNTs) with a diameter of 1–2 nm. The catalyst with MoC_x NPs located on the interior surface of SWNTs(MoCx@SWNTs) exhibits a lower onset over-potential and a smaller Tafel slope than the one with MoC_x NPs attached on the exterior surface(MoCx/SWNTs). This is likely attributed to the much smaller particle size and the more reduced states of the confined MoC_x NPs, as well as the larger specific surface area of MoCx@SWNTs compared with Mo Cx/SWNTs. In addition, the electronic structure of the confined MoC_x NPs might be modified by the confinement effects of SWNTs, and hence the adsorption free energy of H atoms on the confined MoC_x NPs, which could also contribute to their higher performance. These results suggest that the SWNTs can be further explored for constructing novel catalysts with beneficial catalytic performance. | Tingting Cui Jinhu Dong Xiulian Pan Tie Yu Qiang Fu Xinhe Bao | 2019 | Journal of Energy Chemistry2019，28，1： | 7 |
| 6 | Microscopic insights into the catalytic mechanisms of monolayer MoS2 and its heterostructures in hydrogen evolution reaction显示文摘Exploring high-efficient catalysts for hydrogen evolution reaction(HER)has become very urgeht for resolving the energy related issues.Recently,two-dimensional layered MoS2 and its heterostructures with graphene or other traditional photocatalysts have presented great potentials for electrocatalytic and photocatalytic HER applications.On-site investigations of the atomic-scale structures and local electronic properties of the catalytically active sites are the key points for understanding the internal mechanisms,which however are hard to be achievec from the practical systems.Hereby,this review focuses on the recent progresses on the on-site scanning tunneling microscopy/spectroscopy investigations of the atomic structures and electronic properties of the ultrahigh-vacuum deposited and chemical vapor deposition(CVD)synthesized monolayer MoS2 and MoSz/graphene vertical stacks on the electrodes of Au(111)and Au foils.The correlations between the respective HER activities,edge types and edge electronic states are comparatively introduced.Secondly,this review also introduces thephotocatalytic HER applications of CVD-grown MoS2/WS2 and WS/MoS2 vertical stacks on Au foils,mainly considering of their type-ll band.alignments and the novel interlayer charge transfer behaviors.Finally,future research directions are also proposed for in-depth understanding of the catalytic mechanism,as well as for exploring more efficient HER catalysts. | Min Hong Jianping Shi Yahuan Huan Qin Xie Yanfeng Zhang | 2019 | Nano Research2019，12，9： | 7 |
| 7 | Insight into the catalytic activity of MXenes for hydrogen evolution reaction显示文摘MXenes have exhibited great potential as cost-effective electrocatalysts for hydrogen evolution reaction(HER). However, insight into the origin of activity is still missing. Herein, on the basis of a systematical investigation of the HER performance of 20 MXenes(M_2NO_2 and M_2CO_2, M = Sc, Ti, V, Cr, Zr, Nb, Mo,Hf, Ta and W), a Fermi-abundance model is proposed to understand variation of the activity in different MXenes. It is found that the occupied p electronic states of surface O atoms play a decisive role in the HER activity of MXenes. More importantly, Ti_2NO_2 and Nb_2NO_2 are found to be promising HER electrocatalysts with the free energy for hydrogen adsorption close to zero. This work not only provides possible catalysts for HER, the developed Fermi-abundance model but also is applicable to other two-dimensional materials and may serve as a simple descriptor of the intrinsic HER activity. | Xiaowan Bai Chongyi Ling Li Shi Yixin Ouyang Qiang Li Jinlan Wang | 2018 | Science Bulletin2018，63，21： | 6 |
| 8 | Two-dimensional Sn2Ta2O7 nanosheets as efficient visible lightdriven photocatalysts for hydrogen evolution显示文摘Two-dimensional Sn2Ta2O7 nanosheets with a thickness of^10 nm were successfully prepared through a novel tantalic acid-based solid-state reaction method at reduced temperature.The as-obtained samples were characterized by powder X-ray diffraction(XRD),ultraviolet–visible(UV–Vis)diffuse reflectance spectra,scanning electron microscopy(SEM),transmission electron microscopy(TEM)and Brunauer–Emmett–Teller(BET)analysis.The photocatalytic performance of Sn2 Ta2 O7 nanosheets was evaluated by photocatalytic water splitting for hydrogen evolution under visible light irradiation(k C 400 nm).The Sn2Ta2O7 nanosheets with a large surface area of 25.9 m^2·g^-1 showed higher H2 production activity,which was about 4.4 times higher than that of bulk Sn2 Ta2O7 in lactic acid aqueous solutions using Pt as a cocatalyst.The improved photocatalytic performance mainly benefited from the nanosheet structure,which provided abundant surface active sites and facilitated the photogenerated charge carrier separation efficiently.This workmay open up new opportunity to develop novel nanostructured tantalum-based semiconductors with improved catalytic performance for solar energy conversion. | Xiao-Shuai Wang Chao Zhou Run Shi Qin-Qin Liu Tie-Rui Zhang | 2019 | Rare Metals2019，38，5： | 6 |
| 9 | Steering elementary steps towards efficient alkaline hydrogen evolution via size-dependent Ni/NiO nanoscale heterosurfaces显示文摘Alkaline hydrogen evolution reaction(HER),consisting of Volmer and Heyrovsky/Tafel steps,requires extra energy for water dissociation,leading to more sluggish kinetics than acidic HER.Despite the advances in electrocatalysts,how to combine active sites to synergistically promote both steps and understand the underlying mechanism remain largely unexplored.Here,Density Functional Theory(DFT)calculations predict that NiO accelerates the Volmer step while metallic Ni facilitates the Heyrovsky/Tafel step.A facile strategy is thus developed to control Ni/NiO heterosurfaces in uniform and well-dispersed Ni-based nanocrystals,targeting both reaction steps synergistically.By systematically modulating the surface composition,we find that steering the elementary steps through tuning the Ni/NiO ratio can significantly enhance alkaline HER activity,and Ni/NiO nanocrystals with a Ni/NiO ratio of 23.7% deliver the best activity,outperforming other state-of-the-art analogues.The results suggest that integrating bicomponent active sites for elementary steps is effective for promoting alkaline HER,but they have to be balanced. | Lu Zhao Yun Zhang Zhonglong Zhao Qing-Hua Zhang Lin-Bo Huang Lin Gu Gang Lu Jin-Song Hu Li-Jun Wan | 2020 | National Science Review2020，7，1： | 6 |
| 10 | Direct synthesis of L10-FePt nanopartides from single-source bimetallic complex and their electrocatalytic applications in oxygen reduction and hydrogen evolution reactions显示文摘L10-FePt nan oparticles(NPs)with high chemical ordering represent effective electrocatalysts to reduce the cost and enhance theircatalytic performanee in fuel cells.A molecular strategy of preparing highly ordered FePt NPs was used by direct pyrolysis of a Fe,Pt-containing bimetallic complex.The resultant L10-FePt NPs had very high crystallinity as reflected by the obvious diffractionpatterns,clear lattice fringes and characteristic X-ray diffraction peaks,etc.Besides,the strong ferromagnetism with room temperaturecoercivity of 27 kOe further confirmed the face-centered tetrag on al(fet)phase in good agreement with the ordered nano structures.TheFePt NPs can be used as electrocatalysts to catalyze oxygen reduction reaction(ORR)in an O2·saturated 0.1 M HClO4 solution andhydrogen evolution reaction(HER)in the 0.5 M H2SO4 electrolyte with much better performance than commercial Pt/C,and showedquite high stability after 10,000 cycles.The strategy utilizing orga no metallic precursors to prepare metal alloy NPs was dem on strated tobe a reliable approach for improving the catalytic efficiency in fuel cells. | Zhengong Meng Fei Xiao Zhuoxun Wei Xuyun Guo Ye Zhu Yurong Liu Guijun Li Zhen-Qiang Yu Minhua Shao Wai-Yeung Wong | 2019 | Nano Research2019，12，12： | 5 |
| 11 | Rational design of phosphorus-doped cobalt sulfides electrocatalysts for hydrogen evolution显示文摘Moderate anionic doping is an effective approach to improve the performance of electrocatalysts toward hydrogen evolution reaction(HER)since it can adjust the electronic structure,activesite,and phase.The reported studies mainly focus on designing P doped C0S2,while otherphases of cobalt sulfide,such as Co1-xS and Co9S8 doped with P are rarely investigated for HER electrocatalysts.Herein,various cobalt sulfides(including CoSg/Co1-xS,Co1-xS,and Co9S8)doped with P are anchored on carbon cloth through a facile hydrothermal method.Among tested electrocatalysts,P doped Co1-xS exhibits excellent electrocatalytic performance with an overpotential of 110 and 165 mV(vs.RHE)for currentdensities of 10 and 100 mA·cm^-2,respectively.Density functional theory calculations reveal that P doped Co1-xS possesses a smaller bandgapand more optimal hydrogen adsorption sites than pristine Co1-xS.This work initially investigates various cobalt sulfides doped with P and furthergets in sight into the activity improvement mechanism of P dopi ng,which could guide the desig n of earth-abunda nt HER electrocatalysts for the'hydrogen economy'. | Guoxing Qu Tianli Wu Yanan Yu Zekang Wang Yang Zhou Zhendong Tang Qin Yue | 2019 | Nano Research2019，12，12： | 5 |
| 12 | Ternary mesoporous cobalt-iron-nickel oxide efficiently catalyzing oxygen/hydrogen evolution reactions and overall water splitting显示文摘Among various efficient electrocatalysts for water splitting,CoFe and NiFe-based oxides/hydroxides are typically promising candidates thanks to their extraordinary activities towards oxygen evolution reaction (OER).However,the endeavor to advance their performance towards overall water splitting has been largely impeded by the limited activities for hydrogen evolution reaction (HER).Herein,we present a CoFeNi ternary metal-based oxide (CoFeNi-O) with impressive hierarchical bimodal channel nanostructures,which was synthesized via a facile one-step dealloying strategy.The oxide shows superior catalytic activities towards both HER and OER in alkaline solution due to the alloying effect and the intrinsic hierarchical porous structure.CoFeNi-O loaded on glass carbon electrodes only requires the overpotentials as low as 230 and 278 mV to achieve the OER current densities of 10 and 100 mA·cm-2,respectively.In particular,extremely low overpotentials of 200 and 57.9 mV are sufficient enough for Ni foam-supported CoFeNi-O to drive the current density of 10 mA·cm-2 towards OER and HER respectively,which is comparable with or even better than the already-developed state-of-the-art non-noble metal oxide based catalysts.Benefiting from the bifunctionalities of CoFeNi-O,an alkaline electrolyzer constructed by the Ni foam-supported CoFeNi-O electrodes as both the anode and the cathode can deliver a current density of 10 mA·cm-2 at a fairly low cell-voltage of 1.558 V.In view of its electrocatalytic merits together with the facile and cost-effective dealloying route,CoFeNi-O is envisioned as a promising catalyst for future production of sustainable energy resources. | Lulu Han Limin Guo Chaoqun Dong Chi Zhang Hui Gao Jiazheng Niu Zhangquan Peng Zhonghua Zhang | 2019 | Nano Research2019，12，9： | 5 |
| 13 | An electrodeposition approach to metal/metal oxide heterostructures for active hydrogen evolution catalysts in near-neutral electrolytes显示文摘Neutral water splitting is attractive for its use of non-corrosive and environmentally friendly electrolytes.However,catalyst development for hydrogen and oxygen evolution remains a challenge under neutral conditions.Here we report a simple electrodeposition and reductive annealing procedure to produce a highly active Ni-Co-Cr metal/metal oxide heterostructured catalyst directly on Ni foam.The resulting electrocatalyst for hydrogen evolution reaction (HER) requires only 198 mV of overpotential to reach 100 mNcm2 in 1 M potassium phosphate (pH =7.4) and can operate for at least two days without significant performance decay.Scanning transmission electron microscopy coupled with electron energy loss spectroscopy (STEM-EELS) imaging reveals a Ni-Co alloy core decorated with blended oxides layers of NiO,CoO and Cr2O3.The metal/metal oxide interfaces are suggested to be responsible for the high HER activity. | Michael J.Kenney Jianan Erick Huang Yong Zhu Yongtao Meng Mingquan Xu Guanzhou Zhu Wei-Hsuan Hung Yun Kuang Mengchang Lin Xiaoming Sun Wu Zhou Hongjie Dai | 2019 | Nano Research2019，12，6： | 4 |
| 14 | 2D MXene-Based Materials for Electrocatalysis显示文摘MXenes,as an emerging 2D material,are expected to exert a great influence on future energy storage and conversion technologies.In this review,we systematically summarize recent advances in MXene-based materials in electrocatalysis,particularly in the hydrogen evolution,oxygen evolution,oxygen reduction,nitrogen reduction,and CO2 reduction reactions.Crucial factors influencing the properties of these materials,such as functional groups,conductivity,and interface,are discussed,and challenges to the future development of MXene-based electrocatalysts are presented. | Jiapeng Liu Wenchao Peng Yang Li Fengbao Zhang Xiaobin Fan | 2020 | Transactions of Tianjin University2020，26，3： | 4 |
| 15 | Transition-metal-doped NiSe2 nanosheets towards efficient hydrogen evolution reactions显示文摘Transition metal diselenides are promising electrocatalysts for hydrogenevolution and therefore different approaches have been proposed to enhancetheir catalytic activity. Herein, we describe systematic studies of the dependenceof transition-metal doping on the catalytic activity of NiSe2 by first principlescalculations, where Fe is demonstrated to be the best candidate element to tunethe electrocatalytic activity of NiSe2 with lower AGH. values and increasedelectrical conductivity. To provide further experimental evidence, Fe-dopedNiSe2 porous nanosheets grown on carbon cloth are successfully developed.These nanosheets show significantly improved efficiency for hydrogen evolutionreactions compared to their un-doped counterpart. The optimized Ni0.sFe0.2Se2electrocatalyst gives rise to a current density of 10 mA.cm-2 at a very lowoverpotential of 64 mV with outstanding long-term stability. The present strategyof doping NiSe2-based electrocatalysts with transition metals paves a newpathway for the design and synthesis of electrocatalysts for large-scale electro-chemical energy applications. | Tongtong Wang Daqiang Gao Wen Xiao Pinxian Xi Desheng Xue John Wang | 2018 | Nano Research2018，11，11： | 4 |
| 16 | Charge Engineering of Mo2C@Defect-Rich N-Doped Carbon Nanosheets for Efficient Electrocatalytic H2 Evolution显示文摘Charge engineering of carbon materials with many defects shows great potential in electrocatalysis,and molybdenum carbide(Mo2C)is one of the noble-metal-free electrocatalysts with the most potential.Herein,we study the Mo2C on pyridinic nitrogen-doped defective carbon sheets(MoNCs)as catalysts for the hydrogen evolution reaction.Theoretical calculations imply that the introduction of Mo2C produces a graphene wave structure,which in some senses behaves like N doping to form localized charges.Being an active electrocatalyst,MoNCs demonstrate a Tafel slope as low as 60.6 mV dec-1 and high durability of up to 10 h in acidic media.Besides charge engineering,plentiful defects and hierarchical morphology also contribute to good performance.This work underlines the importance of charge engineering to boost catalytic performance. | Chunsheng Lei Wen Zhou Qingguo Feng Yongpeng Lei Yi Zhang Yin Chen Jiaqian Qin | 2019 | Nano-Micro Letters2019，11，3： | 4 |
| 17 | Photocatalytic performance of K2Ti6O13 whiskers to H2 evolution and CO2 photo-reduction显示文摘K2Ti6O13 whiskers were synthesized by conventional sol-gel method, sono-chemical assisted and microwave assisted sol-gel method in order to obtain catalysts with different particle sizes and to modify their optical, textural and electrochemical properties. These modifications improved their photocatalytic activity for H2 evolution and CO2 photo-reduction. Long K2Ti6O13 whiskers prepared by ultrasound assisted sol-gel method are the most active photocatalysts for the hydrogen evolution reaction using pure water as reactant (U-SG, 10,065 μmol g^-1). In contrast, an opposite behavior was observed using a mixture of ethanol-water, where the highest activity was achieved by the shortest and less crystalline K2Ti6O13 whiskers (C-SG, 3,2871 μmol g^-1). In case of CO2 photo-reduction, long whiskers that were also prepared by the sono-chemical assisted sol-gel method were the most active to transform CO2 to formaldehyde, methane, methanol and hydrogen. The EFB value of this catalyst is located very close to the potential for formaldehyde production and favors the selectivity to this organic product. | L. F. Garay-Rodríguez L.M.Torres-Martínez E.Moctezuma | 2019 | Journal of Energy Chemistry2019，28，10： | 4 |
| 18 | Synthesis of MoX2 (X =Se or S) monolayers with high-concentration 1T'phase on 4H/fcc-Au nanorods for hydrogen evolution显示文摘Controlled synthesis of transition metal dichalcogenide (TMD) monolayers with unusual crystal phases has attracted increasing attention due to their promising applications in electrocatalysis.However,the facile and large-scale preparation of TMD monolayers with high-concentration unusual crystal phase still remains a challenge.Herein,we report the synthesis of MoX2 (X =Se or S) monolayers with high-concentration semimetallic 1T'phase by using the 4H/face-centered cubic (fcc)-Au nanorod as template to form the 4H/fcc-Au@MoX2 nanocomposite.The concentrations of 1T'phase in the prepared MoSe2 and MoS2 monolayers are up to 86% and 81%,respectively.As a proof-of-concept application,the obtained Au@MoS2 nanocomposite is used for the electrocatalytic hydrogen evolution reaction (HER) in acid medium,exhibiting excellent performance with a low overpotential of 178 mV at the current density of 10 mNcm^2,a small Tafel slope of 43.3 mV/dec,and excellent HER stability.This work paves a way for direct synthesis of TMD monolayers with high-concentration of unusual crystal phase for the electrocatalytic application. | Zhengqing Liu Xiao Zhang Yue Gong Qipeng Lu Zhicheng Zhang Hongfei Cheng Qinglang Ma Junze Chen Meiting Zhao Bo Chen Ye Chen Xue-Jun Wu Pengfei Yin Lin Gu Yaping Du Hua Zhang | 2019 | Nano Research2019，12，6： | 3 |
| 19 | Computational high-throughput screening of alloy nanoclusters for electrocatalytic hydrogen evolution显示文摘Here,we report a density functional theory(DFT)-based high-throughput screening method to successfully identify a type of alloy nanoclusters as the electrocatalyst for hydrogen evolution reaction(HER).Totally 7924 candidates of Cu-based alloy clusters of Cu55-nMn(M=Co,Ni,Ru,and Rh)are optimized and evaluated to screening for the promising catalysts.By comparing different structural patterns,Cu-based alloy clusters prefer the core–shell structures with the dopant metal in the core and Cu as the shell atoms.Generally speaking,the HER performance of the Cu-based nanoclusters can be significantly improved by doping transition metals,and the active sites are the bridge sites and three-fold sites on the outer-shell Cu atoms.Considering the structural stability and the electrochemical activity,core–shell CuNi alloy clusters are suggested to be the superior electrocatalyst for hydrogen evolution.A descriptor composing of surface charge is proposed to efficiently evaluate the HER activity of the alloy clusters supported by the DFT calculations and machine-learning techniques.Our screening strategy could accelerate the pace of discovery for promising HER electrocatalysts using metal alloy nanoclusters. | Xinnan Mao Lu Wang Yafeng Xu Pengju Wang Youyong Li Jijun Zhao | 2021 | npj Computational Materials2021，，1： | 3 |
| 20 | Synergistic impact of cocatalysts and hole scavenger for promoted photocatalytic H2 evolution in mesoporous TiO2–NiSx hybrid显示文摘Photocatalytic solar energy conversion to hydrogen is sustainable and attractive for addressing the global energy and environmental issue. Herein, a novel photocatalytic system (NiS/Ni3S4 cocatalysts modified mesoporous TiO2) with superior photocatalytic hydrogen evolution capability through the synergistic impact of NiS/Ni3S4 (NiSx) cocatalyst and efficient hole scavenger has been demonstrated. The photocatalytic hydrogen evolution of TiO2-NiSx hybrids with the different content of NiSx and upon different organic hole scavengers was both investigated. The hybrid of TiO2 decorated with 3%(mole ratio of Ni^2+) NiSx cocatalyst in methanol solution showed the optimal photocatalytic hydrogen evolution rate of 981.59 μmol h^-1 g^-1 which was about 20 times higher than that of bare mesoporous TiO2. Our results suggested that the boosted hydrogen production performance is attributed to both the improved photoinduced electrons migration between NiS and Ni3S4 in cocatalyst and the high hole captured efficiency by hole scavengers of methanol. | Yi Wei Gang Cheng Jinyan Xiong Jiaxin Zhu Yixin Gan Mengmeng Zhang Zhen Li Shixue Dou | 2019 | Journal of Energy Chemistry2019，28，5： | 3 |
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