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Promoting the charge separation and photoelectrocatalytic water reduction kinetics of Cu_(2)O nanowires via decorating dual-cocatalysts

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Journal of Materials Science & Technology 2021年第3期62卷 119-127页

作者： Mengmeng Zhang jiajun wang Yang wang Jinfeng Zhang Xiaopeng Han Yanan Chen Yuesheng wang Zaghib Karim Wenbin Hu Yida Deng School of Materials Science and Engineering Key Laboratory of Advanced Ceramics and Machining Technology of Ministry of EducationTianjin UniversityTianjin300072China Center of Excellence in Transformation Electrification and Energy Storage Hydro-Québec1806 Boulevard Lionel-BouletVarennesQuébecJ3X 1S1Canada Joint School of National University of Singapore and Tianjin University International Campus of Tianjin UniversityBinhai New CityFuzhou350207China

Developing high activity and low-cost materials to produce hydrogen by the sustainable way of photoelectrochemical is key to social *** abundance and inexpensive Cu_(2)O has been received increasing research as its suitable energy level for photocatalytic water ***,the fast charge recombination rate and the sluggish catalytic kinetics are the huge challenges facing the Cu_(2)O ***,the highly reactive Cu_(2)O@C-MoS_(2)photocathode is constructed by depositing dual-cocatalysts of the carbon layer and MoS_(2)nanosheets on Cu_(2)O nanowires to realize efficient water *** impressive carrier concentration of 6.59×10^(23)cm^(-3)is received,which is 2.78 times of the bare Cu_(2)O,resulting in remarkable enhancement in photocurrent density of 3.34 times for the Cu_(2)O@CMoS_(2)***,the applied bias photon-to-current conversion efficiency of the bare Cu_(2)O enhanced 4.5 times from 0.16%to 0.72%in the Cu_(2)O@C-MoS_(2)*** analysis shows that the Cu_(2)O as light absorber,the carbon layer as electron transfer promoter,and MoS_(2)nanosheets as catalytic sites,thus facilitating chrage separation and enhancing catalytic *** system paves a feasible strategy for designing other photoelectrodes to realize efficient charge separation and high catalytic activity.

关键词： Photoelectrochemical water reduction Cu_(2)O nanowires Dual-cocatalysts modification Photocathode Charge separation

A systematic review on COVID-19 related research in HVAC system and indoor environment

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Energy and Built Environment

Energy and Built Environment 2024年第6期5卷 970-983页

作者： Yaolin Lin jiajun wang Wei Yang Lin Tian Christhina Candido School of Environment and Architecture University of Shanghai for Science and TechnologyShanghaiChina200093 Faculty of Architecture Building and PlanningThe University of MelbourneMelbourneAustralia3010 School of Engineering RMIT UniversityMelbourneAustralia3000

The on-going COVID-19 pandemic has wrecked havoc in our society,with short and long-term consequences to people’s lives and livelihoods-over 651 million COVID-19 cases have been confirmed with the number of deaths exceeding 6.66 *** people stay indoors most of the time,how to operate the Heating,Ventilation and Air-Conditioning(HVAC)systems as well as building facilities to reduce airborne infections have become hot research *** paper presents a systematic review on COVID-19 related research in HVAC systems and the indoor ***,it reviews the research on the improvement of ventilation,filtration,heating and air-conditioning systems since the onset of ***,various indoor environment improvement measures to minimize airborne spread,such as building envelope design,physical barriers and vent position arrangement,and the possible impact of COVID-19 on building energy consumption are ***,it provides comparisons on the building operation guidelines for preventing the spread of COVID-19 virus from different ***,recommendations for future studies are provided.

关键词： COVID-19 HVAC systems Facilities management Building operation guidelines Healthy indoor environments

Perception Enhanced Deep Deterministic Policy Gradient for Autonomous Driving in Complex Scenarios

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Computer Modeling in Engineering & Sciences 2024年第7期140卷 557-576页

作者： Lyuchao Liao Hankun Xiao Pengqi Xing Zhenhua Gan Youpeng He jiajun wang Fujian Provincial Key Laboratory of Automotive Electronics and Electric Drive Fujian University of TechnologyFuzhou350118China Fujian Provincial Universities Engineering Research Center for Intelligent Driving Technology Fuzhou350118China

Autonomous driving has witnessed rapid advancement;however,ensuring safe and efficient driving in intricate scenarios remains a critical *** particular,traffic roundabouts bring a set of challenges to autonomous driving due to the unpredictable entry and exit of vehicles,susceptibility to traffic flow bottlenecks,and imperfect data in perceiving environmental information,rendering them a vital issue in the practical application of autonomous *** address the traffic challenges,this work focused on complex roundabouts with multi-lane and proposed a Perception EnhancedDeepDeterministic Policy Gradient(PE-DDPG)for AutonomousDriving in the ***,themodel incorporates an enhanced variational autoencoder featuring an integrated spatial attention mechanism alongside the Deep Deterministic Policy Gradient framework,enhancing the vehicle’s capability to comprehend complex roundabout environments and make ***,the PE-DDPG model combines a dynamic path optimization strategy for roundabout scenarios,effectively mitigating traffic bottlenecks and augmenting throughput *** experiments were conducted with the collaborative simulation platform of CARLA and SUMO,and the experimental results show that the proposed PE-DDPG outperforms the baseline methods in terms of the convergence capacity of the training process,the smoothness of driving and the traffic efficiency with diverse traffic flow patterns and penetration rates of autonomous vehicles(AVs).Generally,the proposed PE-DDPGmodel could be employed for autonomous driving in complex scenarios with imperfect data.

关键词： Autonomous driving traffic roundabouts deep deterministic policy gradient spatial attention mechanisms

Unraveling the reaction mechanism of low dose Mn dopant in Ni(OH)_(2) supercapacitor electrode

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Journal of Energy Chemistry 2021年第10期30卷 497-506,I0013页

作者： Zhiguo Zhang Hua Huo Zhenjiang Yu Lizhi Xiang Bingxing Xie Chunyu Du jiajun wang Geping Yin Key Laboratory of Materials for New Energy Conversion and Storage(Ministry of Industry and Information Technology) School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001HeilongjiangChina

Mn doping is deemed as a promising strategy to improve the electrochemical performance of the a-Ni(OH)_(2)battery-type supercapacitor ***,the internal structure evolution,the pathways and the dynamics of the proton/intercalated anion migration,as well as the functioning mechanism of Mn dopant to stabilize the layered structure during cycles remain ***,we unveil that irreversible oxidization of Mn^(3+)at the initial CV cycles,which will remain as Mn^(4+)in the NiO_(2)slabs after the first oxidization to effectively suppress the phase transformation fromα-Ni(OH)_(2)/γ-NiOOH toβ-Ni(OH)_(2)/β-NiOOH and further maintain the structural integrity of *** a synergistic combination of theoretical calculations and various structural probes including XRD and^(2)H MAS solid state NMR,we decode the structure evolution and dynamics in the initial CV(cyclic voltammetry)cycles,including the absorption/desorption of hydrogen containing species,migration of intercalated anions/water molecules and the change of interlayer *** present work elucidates a close relationship between doping chemistry and structural reliability,paving a novel way of reengineering supercapacitor electrode materials.

关键词： Reaction mechanism Structure evolution ^(2)H MAS NMR Layered double hydroxides Local environments

How the surface Cu layer affected the activity of Ni foil for alkaline hydrogen evolution

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Journal of Materials Science & Technology 2024年第2期169卷 11-18页

作者： Qingfeng Hu Yuan Liu Xuerong Zheng Jinfeng Zhang jiajun wang Xiaopeng Han Yida Deng Wenbin Hu School of Materials Science and Engineering Key Laboratory of Advanced Ceramics and Machining Technology of Ministry of EducationTianjin UniversityTianjin 300072China State Key Laboratory of Marine Resource Utilization in South China Sea School of Materials Science and EngineeringHainan UniversityHaikou 570228China Joint School of National University of Singapore and Tianjin University International Campus of Tianjin UniversityBinhai New CityFuzhou 350207China

Synthesizing bimetallic nanomaterials,with noble metals as the surface layers and inert metals as the substrates,has been proven to be an effective way to reduce the use of noble metals with maintained catalytic ***,an atomic diffusion from the inert substrate to the surface during the long-term operation has been reported to significantly decrease the *** this work,a series of catalysis-inert Cu-coated Ni foil were fabricated through electrodeposition and their activities for alkaline hydrogen evolution were ***,the Ni/Cu-60 sample showed a similar catalytic property with pure Ni foil and only a slight decrease in HER activity was *** X-ray photoelectron spectroscopy(XPS)results indicated a decreased electron concentration of Cu in Ni/Cu-60,and theoretical calculations further demonstrated the electron transfer between the Ni substrate and Cu *** results reveal that a specific composition or structure of an inert metal layer might not significantly decrease the electrocatalytic activity of active ***,there are more possibilities for the rational design of metal-based catalysts for electrocatalysis.

关键词： Bimetallic heterostructure Charge redistribution Water splitting Alkaline hydrogen evolution

First-principles calculations of stability of graphene-like BC_(3) monolayer and its high-performance potassium storage

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Chinese Chemical Letters 2021年第2期32卷 900-905页

作者： Lijie Zhao Yi Li Guangyao Zhou Shulai Lei Jinli Tan Liangxu Lin jiajun wang Tianjin Key Laboratory of Structure and Performance for Functional Molecules College of ChemistryTianjin Normal UniversityTianjin 300387China Key Laboratory of Computer Vision and Systems(Ministry of Education) School of Computer Science and EngineeringTianjin University of TechnologyTianjin 300384China Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices Hubei University of Arts and ScienceXiangyang 441053China ARC Centre of Excellence for Electromaterials Science Intelligent Polymer Research InstituteAustralia Institute for Innovative Materials(AIIM)Innovation CampusUniversity of WollongongWollongong 2519Australia

With increasing demand for renewable energy,graphene-like BC_(3) monolayer as high performance electrode materials for lithium and sodium batteries are drawing more attention ***,its structural stability,potassium storage properties and strain effect on adsorption properties of alkali metal ions have not been reported *** this work,phonon spectra,AIMD simulations and elastic constants of graphene-like BC_(3) monolayer are *** results show that graphene-like BC_(3) monolayer possesses excellent structural stability and the maximum theoretical potassium storage capacity can reach up to 1653 mAh/g with the corresponding open circuit voltages 0.66 *** to potassium atom can be effectively adsorbed at the most energetically favorable h-CC site with obvious charge transfer,making adsorbed graphene-like BC_(3) monolayer change from semiconductor to metal which is really good for electrode ***,the migrations potassium atom on the graphene-like BC_(3) monolayer is rather fast with the diffusion barriers as low as 0.12 eV,comparing lithium atom with a relatively large diffusion barrier of 0.46 ***,the tensile strains applied on the graphene-like BC3 monolayer have marginal effect on the adsorption and diffusion performances of lithium,sodium and potassium atoms.

关键词： First-principle calculations Storage capacity BC_(3)monolayer Adsorption Diffusion

Tuning the phase evolution pathway of LiNi_(0.5)Mn_(1.5)O_(4) synthesis from binary intermediates to ternary intermediates with thermal regulating agent

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Journal of Energy Chemistry 2022年第2期31卷 62-70页

作者： Libin Wu Hua Huo Qun wang Xucai Yin Shu Guo jiajun wang Chunyu Du Pengjian Zuo Geping Yin Yunzhi Gao Key Laboratory of Materials for New Energy Conversion and Storage(Ministry of Industry and Information Technology) School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001HeilongjiangChina Center of Analysis and Measurement Harbin Institute of TechnologyHarbin 150001HeilongjiangChina

Transition metal cation ordering is essential for controlling the electrochemical performance of cubic spinel LiNi_(0.5)Mn_(1.5)O_(4)(LNMO),which is conventionally adjusted by optimizing the high temperature sintering and annealing *** this present work,multiple characterization techniques,including 6,7Li NMR,XRD and HRTEM,have been combined to trace the phase transformation and morphology evolution during *** has been illustrated that simultaneous formation of LiMn_(2)O_(4)(LMO)and LiNiO_(2)(LNO)binary oxides and their conversion into highly reactive LixNi^(3+)_(y)Mn_(3.5+)_(z)O ternary intermediate is a thermal dynamically difficult but crucial step in the synthesis of LNMO ternary oxide.A new strategy of modifying the intermediates formation pathway from binary mode to ternary mode using thermal regulating agent has been *** synthesized with thermal regulating agent exhibits supreme rate capability,long-cycling performance(even at elevated temperature)and excellent capacity *** a high rate of 100 C,the assembled battery delivers a discharge capacity of 99 mAh g^(-1).This study provides a way to control the formation pathway of complex oxides using thermal regulating agent.

关键词： Cation ordering LiNi_(0.5)Mn_(1.5)O_(4) Lithium ion batteries Synthesis of ternary oxide Thermal regulation

Computational prediction of Mo_(2)@g-C_(6)N_(6) monolayer as an efficient electrocatalyst for N_(2) reduction

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Chinese Chemical Letters 2022年第10期33卷 4623-4627页

作者： jiajun wang Mengyao Shi Guolin Yi Lu wang Shulai Lei Ke Xu Shujuan Li Jianshuai Mu Tianjin Key Laboratory of Structure and Performance for Functional Molecules College of ChemistryTianjin Normal UniversityTianjin 300387China Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices Hubei University of Arts and ScienceXiangyang 441053China Institute of Mathematics Free University of BerlinBerlin D-14195Germany

Electrocatalytic nitrogen reduction reaction(NRR)is an environmentally friendly method for sustainable ammonia synthesis under ambient *** for efficient NRR electrocatalysts with high activity and selectivity is currently urgent but remains great ***,we systematically investigate the NRR catalytic activities of single and double transition metal atoms(TM=Fe,Co,Ni and Mo)anchored on g-C_(6)N_(6) monolayers by performing first-principles *** on the stability,activity,and selectivity analysis,Mo_(2)@g-C_(6)N_(6) monolayer is screened out as the most promising candidate for *** exploration of the reaction mechanism demonstrates that the Mo dimer anchored on g-C_(6)N_(6) can sufficiently activate and efficiently reduce the inert nitrogen molecule to ammonia through a preferred distal pathway with a particularly low limiting potential of -0.06 *** addition,we find that Mo_(2)@g-C_(6)N_(6) has excellent NRR selectivity over the competing hydrogen evolution reaction,with the Faradaic efficiency being 100%.Our work not only predicts a kind of ideal NRR electrocatalyst but also encouraging more experimental and theoretical efforts to develop novel double-atom catalysts(DACs)for NRR.

关键词： g-C_(6)N_(6)monolayer Double-atom catalysts Nitrogen reduction reaction Hydrogen evolution reaction Limiting potential Density functional theory

Construction of polysulfides defense system for greatly improving the long cycle life of metal sulfide anodes for sodium-ion batteries

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Journal of Energy Chemistry 2022年第8期31卷 210-217,I0007页

作者： Xucai Yin Yang Ren Libin Wu Zhiguo Zhang Chunyu Du jiajun wang Gepin Yin Hua Huo Key Laboratory of Materials for New Energy Conversion and Storage Ministry of Industry and Information TechnologySchool of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001HeilongjiangChina

Metal sulfides are promising anode materials for sodium ion batteries(SIBs)due to their high theoretical specific capacity and abundant ***,significant challenges,including large volume change,sluggish Na^(+)transport kinetics and polysulfides intermediates,have greatly affect their long cycle ***,the majority of current studies only focus on the first two aspects,but lack of sufficient attention and insights into the effect of polysulfides ***,a porous of CoS_(x)(P-CoS_(x))electrode material is fabricated as an example to investigate the influence of polysulfides on its cycling *** results show that polysulfides cause a slight loss of reversible capacity during the battery cycling,while the failure of the battery is due to its significant fluctuations in reversible capacity after extensive *** analyses demonstrate that the intense fluctuation in capacity originates from the faster growth of dendrites caused by the reaction of sodium polysulfides with sodium foil and/or the reaction of elemental sulfur with sodium foil to penetrate the separator,resulting in a local short *** suppress these undesirable side reaction,N,S co-doped porous carbon tubes(N,S-PC)rich in C–S and C–N bonds have been added to adsorb polysulfides and alleviate their reaction with sodium *** a result,the capacity of the P-CoS_(x) electrode with N,S-PC(P-CoS_(x)/N,S-PC)remains stable without significant fluctuations for 1000 cycles,which is much better than that of the pure P-CoS_(x) electrode(intense fluctuation in capacity after 320 cycles).Our work offers insights into the crucial influence of polysulfides on the cycle performance of the P-CoS_(x) anode and provides a feasible strategy to prolong the cycle life of metal sulfide anode for SIBs.

关键词： Intense fluctuation in capacity Polysulfides N,S-PC tubes Anode Sodium-ion batteries