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Unlocking power of neighboring vacancies in boosting hydrogen evolution reactions on two-dimensional NiPS3 monolayer

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eScience 2024年第3期4卷 104-115页

作者： Hyun Gu han Jae Won Choi Minsu Son Ki chul Kim Computational Materials Design Laboratory Department of Chemical EngineeringKonkuk UniversitySeoul 05029The Republic of Korea Division of Chemical Engineering Konkuk UniversitySeoul 05029The Republic of Korea

This study investigates the effect of defect engineering on the catalytic activity of a NiPS3 monolayer catalyst for the hydrogen evolution reaction(HER).Three different types of vacancies on the basal plane of the monolayer are explored through a multi-step mechanism involving the dissociative adsorption of a water molecule and subsequent electrochemical adsorption of the dissociated ***-formation of vacancies in both Ni and S sites is found to be the most effective in enhancing the catalytic performance of the monolayer.A key resource for the reaction thermodynamics is the S-substitution-like physisorption of a water molecule on a vacant S site,followed by the dissociative occupation of OH and H into vacant sites of S and Ni elements,boosted by the NiS di-vacancy configuration with low activation energy *** reveals the highest contribution of bonding orbitals to the monolayer-H bond makes it the most desirable defect engineering approach for transition metal phosphorus chalcogenides with high HER ***,this study highlights the significance of controlled defect engineering in augmenting the catalytic performance of NiPS3 monolayer catalysts for HER.

关键词： Hydrogen evolution reaction Defect engineering Transition metal phosphorus trichalcogenide Density functional theory Reaction thermodynamics

Temporal and Spatial Optimization for 5G Base Station Groups in Distribution Networks

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Journal of Modern Power Systems and Clean Energy 2024年第4期12卷 1159-1169页

作者： Silu Zhang Nian Liu Jianpei han Department of Electrical and Electronic Engineering North China Electric Power UniversityBeijingChina

With the large-scale connection of 5G base stations(BSs)to the distribution networks(DNs),5G BSs are utilized as flexible loads to participate in the peak load regulation,where the BSs can be divided into base station groups(BSGs)to real-ize inter-district energy transfer.A Stackelberg game-based opti-mization framework is proposed,where the distribution net-work operator(DNO)works as a leader with dynamic pricing for multi-BSGs;while BSGs serve as followers with the ability of demand response to adjust their charging and discharging strategies in temporal dimension and load migration strategy in spatial ***,the presence and uniqueness of the Stackelberg equilibrium(se)are ***,differ-ential evolution is adopted to reach the se and the optimization problem in multi-BSGs is decomposed to solve the time-space ***,through simulation of a practical system,the results show that the DNO operation profit is increased via cut-ting down the peak load and the operation costs for multi-BSGs are reduced,which reaches a win-win effect.

关键词： 5G base station dynamic pricing demand response energy storage load migration Stackelberg game optimization

Functionally graded structure of a nitride-strengthened Mg_(2)Si-based hybrid composite

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Journal of Magnesium and Alloys 2024年第3期12卷 1239-1256页

作者： Jeongho Yang Woongbeom Heogh Hogi Ju Sukhyun Kang Tae-Sik Jang Hyun-Do Jung Mohammad Jahazi se.ng chul han se.ng Je Park Hyoung seop Kim Susmita Bose Amit Bandyopadhyay Martin Byung-Guk Jun Young Won Kim Dae-kyeom Kim Rigoberto CAdvincula Clodualdo Aranas Jr Sang Hoon Kim School of Mechanical Engineering Pusan National UniversityBusan 46241Republic of Korea Department of Mechanical Design Engineering Hanyang UniversitySeoul 04763Republic of Korea Process Research 3 Team LG Display Co.Ltd.PajuGyeonggi-do 10845Republic of Korea Department of Materials Science and Engineering Chosun UniversityGwangju 61452Republic of Korea Institute of Well-Aging Medicare&Chosun University LAMP Center Chosun UniversityGwangju 61452Republic of Korea Division of Materials Science and Engineering Hanyang UniversitySeoul 04763Republic of Korea Department of Mechanical Engineering École de Technologie SupérieureMontrealQuebec H3C 1K3Canada Material&Component Convergence R&D Center Korea Construction Equipment Technology InstituteGunsanJeollabuk-do 54002Republic of Korea School of Mechanical and Aerospace Engineering Nanyang Technological UniversitySingapore 639798Singapore Graduate Institute of Ferrous&Eco Materials Technology Pohang University of Science and TechnologyPohangGyeongsangbuk-do 37673Republic of Korea Advanced Institute for Materials Research Tohoku UniversitySendai 980-8577Japan Institute for Convergence Research and Education in Advanced Technology Yonsei UniversitySeoul 03722Republic of Korea School of Mechanical and Materials Engineering Washington State UniversityPullmanWashington 99164USA School of Mechanical Engineering Purdue UniversityWest LafayetteIndiana 47907USA Research Institute of Advanced Manufacturing Technology Korea Institute of Industrial TechnologyIncheon 21999Republic of Korea Department of Macromolecular Science and Engineering Case Western Reserve UniversityClevelandOhio 44106USA Department of Chemical and Biomolecular Engineering and Joint Institute for Advanced Materials University of TennesseeKnoxvilleTennessee 37996USA Center for Nanophase Materials and Sciences Oak Ridge National LaboratoryOak RidgeTennessee 37830USA Department of Mechanical Engineering University of New BrunswickFrederictonNew Brunswick E3B 5A3Cana

The ex-situ incorporation of the secondary SiC reinforcement,along with the in-situ incorporation of the tertiary and quaternary Mg_(3)N_(2) and Si_(3)N_(4) phases,in the primary matrix of Mg_(2)Si is employed in order to provide ultimate wear resistance based on the laser-irradiation-induced inclusion of N_(2) gas during laser powder bed *** is substantialized based on both the thermal diffusion-and chemical reactionbased metallurgy of the Mg_(2)Si–SiC/nitride hybrid *** study also proposes a functional platform for systematically modulating a functionally graded structure and modeling build-direction-dependent architectonics during additive *** strategy enables the development of a compositional gradient from the center to the edge of each melt pool of the Mg_(2)Si–SiC/nitride hybrid ***,the coefficient of friction of the hybrid composite exhibits a 309.3%decrease to–1.67 compared to–0.54 for the conventional nonreinforced Mg_(2)Si structure,while the tensile strength exhibits a 171.3%increase to 831.5 MPa compared to 485.3 MPa for the conventional *** outstanding mechanical behavior is due to the(1)the complementary and synergistic reinforcement effects of the SiC and nitride compounds,each of which possesses an intrinsically high hardness,and(2)the strong adhesion of these compounds to the Mg_(2)Si matrix despite their small sizes and low concentrations.

关键词： Laser powder bed fusion Mg_(2)Si-SiC/nitride hybrid composite Both the thermal diffusion-and chemical reaction-based metallurgy Functionally graded structure Compositional gradient Wear resistance.

Diatomic Fe-Co catalysts synergistically catalyze oxygen evolution reaction

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Nano Research 2024年第5期17卷 3794-3800页

作者： Tianmi Tang Jingyi han Zhenlu Wang Xiaodi Niu Jingqi Guan Institute of Physical Chemistry College of ChemistryJilin UniversityChangchun 130021China College of Food Science and Engineering Jilin UniversityChangchun 130062China

The design of diatomic catalysts with uniformly dispersed metal atoms is expected to improve catalytic performance,which is conducive to the intensive comprehending of the synergistic mechanism between dual-metal sites for the oxygen evolution reaction(OER)at the atomic ***,we design a strategy to immobilize bimetallic Fe-Co atoms onto nitrogen-doped graphene to obtain a diatomic catalyst(DA-FC-ng)with FeN_(3)-CoN_(3) *** DA-FC-ng shows excellent OER activity with a low overpotential(η_(10)=268 mV),which is superior to commercial iridium dioxide *** calculations uncover that the excellent activity of DA-FC-ng is due to the interaction between Fe and Co diatoms,which causes charge rearrangement and induces the adsorption of intermediates on the Fe-O-Co bridge structure,thus improving the catalytic OER *** work is of great significance for the design of highly active diatomic catalysts to replace noble metal catalysts for energy-related applications.

关键词： oxygen evolution reaction diatomic catalyst FeN_(3)-CoN_(3) X-ray absorption spectroscopy(XAS)spectrum theoretical calculation

Cu_(2)se@C thin film with three-dimensional braided structure as a cathode material for enhanced Cu^(2+) storage

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Chinese Chemical Letters 2024年第5期35卷 523-528页

作者： Wenhao Chen Muxuan Wu han Chen Lue Mo Yirong Zhu College of Materials and Advanced Manufacturing Hunan University of TechnologyZhuzhou 412007China Hunan Key of Laboratory of Applied Environmental Photocatalysis Changsha UniversityChangsha 410022China

In the face of multiple challenges brought by the changes of global climate and environment,developing clean energy and updating green energy storage equipment are important ways to achieve carbon peak and carbon *** batteries have become a research hotspot due to their advantages of using the multivalent charge carrier,high ionic conductivity,environmental friendliness and cost *** this work,the Cu_(2)se@C(Cu_(2)se coated on carbon clothes)thin film with a three-dimensional braided structure is fabricated by a simple electrochemical deposition method for Cu^(2+)storage for the first *** with the commercial Cu_(2)se powder,the well-designed Cu_(2)se@C film shows enhanced specific capacity(640 mAh/g at 0.5 A/g)and rate performance(542 mAh/g at 5 A/g)as well as superior cycling stability(82.7%capacity retention after 1000 cycles at 1 A/g).The Cu^(2+)storage mechanism of the Cu_(2)se@C electrode is based on a reversible phase transition process of Cu_(2)se←→Cu_(2-x)se←→Cuse←→Cuse_(2).In kinetic characteristic analysis,the Cu_(2)se@C electrode demonstrates faster Cu^(2+)diffusion in discharge process than charge process resulting from the phase transition and the variation of interplanar *** work highlights a facile one-piece design strategy and opens a new gateway for the exploration of advanced aqueous energy storage systems.

关键词： Cu_(2)se@C Cu^(2+)storage Conversion mechanism Kinetic characteristic Flexible energy storage

Single-cell network analysis reveals gene expression programs for Arabidopsis root development and metabolism

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Plant Communications 2024年第8期5卷 32-49页

作者： Ershang han Zhenxing Geng Yue Qin Yuewei Wang Shisong Ma MOE Key Laboratory for Cellular Dynamics School of Life SciencesDivision of Life Sciences and MedicineUniversity of Science and Technology of ChinaInnovation Academy for Seed DesignChinese Academy of SciencesHefei 230027China School of Data Science University of Science and Technology of ChinaHefei 230027China

Single-cell RNA-sequencing datasets of Arabidopsis roots have been generated,but related comprehensive gene co-expression network analyses are *** conducted a single-cell gene co-expression network analysis with publicly available scRNA-seq datasets of Arabidopsis roots using a SingleCellGGM *** analysis identified 149 gene co-expression modules,which we considered to be gene expression programs(GEPs).By examining their spatiotemporal expression,we identified GEPs specifically expressed in major root cell types along their developmental *** GEPs define gene programs regulating root cell development at different stages and are enriched with relevant developmental *** examples,a GEP specific for the quiescent center(QC)contains 20 genes regulating QC and stem cell niche homeostasis,and four GEPs are expressed in sieve elements(ses)from early to late developmental stages,with the early-stage GEP containing 17 known se developmental *** also identified GEPs for metabolic pathways with cell-type-specific expression,suggesting the existence of cell-type-specific metabolism in *** the GEPs,we discovered and verified a columellaspecific gene,NRL27,as a regulator of the auxin-related root gravitropism *** analysis thus systematically reveals GEPs that regulate Arabidopsis root development and metabolism and provides ample resources for root biology studies.

关键词： single-cell RNA sequencing single-cell gene co-expression network analysis gene expression program Arabidopsis root development NRL27 gravitropism

Suppressing Wnt signaling of the blood-tumor barrier to intensify drug delivery and inhibit lipogenesis of brain metastases

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Acta Pharmaceutica Sinica B 2024年第6期14卷 2716-2731页

作者： Yang Tong Pei An Puxian Tang Rui Mu Yuteng Zeng hang Sun Mei Zhao Ziyan Lv Pan Wang Wanjun han Chunshan Gui Xuechu Zhen Liang han Jiangsu Key Laboratory of Neuropsychiatric Diseases and College of Pharmaceutical Sciences Soochow UniversitySuzhou 215123China Jiangsu Province Engineering Research Center of Precision Diagnostics and Therapeutics Development Soochow UniversitySuzhou 215123China

Lipogenesis is often highly upregulated in breast cancer brain metastases to adapt to intracranial low lipid *** inhibitors hold therapeutic potential but their intra-tumoral distribution is often blocked by the blood-tumor barrier(BTB).BTB activates its Wnt signaling to maintain barrier properties,e.g.,Mfsd2a-mediated BTB low ***,we reported VCAM-1-targeting nano-wogonin(W@V-NPs)as an adjuvant of nano-orlistat(O@V-NPs)to intensify drug delivery and inhibit lipogenesis of brain metastases.W@V-NPs were proven to be able to inactivate BTB Wnt signaling,downregulate BTB Mfsd2a,accelerate BTB vesicular transport,and enhance tumor accumulation of O@*** the ability to specifically kill cancer cells in a lipid-deprived environment with IC_(50) at 48 ng/mL,W@V-NPs plus O@V-NPs inhibited the progression of brain metastases with prolonged survival of model *** combination did not induce brain edema,cognitive impairment,and systemic toxicity in healthy *** Wnt signaling could safely modulate the BTB to improve drug delivery and metabolic therapy against brain metastases.

关键词： Lipogenesis Brain metastases Blood-tumor barrier Wnt signaling Drug delivery Fatty acid synthase Nanoparticles Combination therapy

Boosting the catalytic activity toward oxygen reduction via a heterostructure of porous iron oxide-decorated 2D NiO/ng nanosheets

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Journal of Energy Chemistry 2024年第6期93卷 669-681,I0016页

作者： Kakali Maiti Matthew T.Curnan Hyung Jun Kim Kyeounghak Kim Jeong Woo han Department of Chemical Engineering Pohang University of Science and Technology(POSTECH)PohangGyeongbuk 37673Republic of Korea Department of Materials Science and Engineering Research Institute of Advanced MaterialsSeoul National UniversitySeoul 08826Republic of Korea Department of Chemical Engineering Clean-Energy Research InstituteHanyang UniversitySeoul 04763Republic of Korea CSIR-Institute of Minerals and Materials Technology RRL CampusAcharya ViharBhubaneswarOdisha 751013India

As a noble metal substitute,two-dimensional(2D)hierarchical nano-frame structures have attracted great interest as candidate catalysts due to their remarkable advantages-high intrinsic activity,high electron mobility,and straightforward surface ***,they may replace Pt-based catalysts in oxygen reduction reaction(ORR)***,a simple method is developed to design hierarchical nano-frame structures assembled via 2D NiO and N-doped graphene(ng)*** procedure can yield nanostructures that satisfy the criteria correlated with improved electrocatalytic performance,such as large surface area,numerous undercoordinated atoms,and high defect ***,porous ng nanosheet architectures,featuring NiO nanosheets densely coordinated with accessible holey Fe_(2)O_(3) moieties,can enhance mesoporosity and balance *** improvements can facilitate charge transport and expose formerly inaccessible reaction sites,maximizing active site density *** functional theory(DFT)calculations reveal favored O_(2) adsorption and dissociation on Fe_(2)O_(3) hybrid structures when supported by 2D NiO and ng nanomaterials,given 2D materials donated charge to Fe_(2)O_(3) active *** systematic studies reveal that synergistic contributions are responsible for enriching the catalytic activity of Fe_(2)O_(3)@NiO/ng in alkaline media-encompassing internal voids and pores,unique hierarchical support structures,and concentrated N-dopant and bimetallic atomic ***,this work expands the toolbox for designing and synthesizing highly efficient 2D/2D shelled functional nanomaterials with transition metals,endeavoring to benefit energy conversion and related ORR applications.

关键词： N-doped graphene Holey Fe_(2)O_(3)nanocrystals NiO nanosheets High catalytic performance ORR

Trust in ESG reporting:The intelligent Veri-Green solution for incentivized verification

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Blockchain(Research and Applications) 2024年第2期5卷 126-139页

作者： Liyuan Liu Zhiguo Ma Yiyun Zhou Melissa Fan Meng han Saint Joseph’s University 5600 City AvePhiladelphia19131PAUSA Zhejiang University 866 Yuhangtang RdHangzhou310027ZhejiangChina National Board of Medical Examiners 3750 Market StreetPhiladelphia19104PAUSA

In today’s corporate environment,Environmental,Social,and Governance(ESG)reports crucially reflect an orga-nization’s commitment to sustainability,environmental preservation,and social *** corporations share these detailed reports,the responsibility to validate and assure adherence to respected ESG benchmarks critically lies with third-party assurance ***,the essential verification process often encoun-ters challenges related to authenticity,credibility,and fairness,underscoring the need for a new *** selection of verifiers is a crucial aspect of this process,as their expertise and impartiality directly impact the validity and trustworthiness of the ***,“Veri-Green,”an innovative blockchain-based in-centive mechanism,has been introduced to improve the ESG data verification *** potential risks in verification systems,such as reputational damage due to oversight or inadvertent approval of inaccurate data,and data security risks involving the management of sensitive organizational information,the verifier se-lection process needs to be thoroughly considered and *** the utilization of advanced machine learning algorithms,potential verification candidates are precisely identified,followed by the deployment of the Vickrey Clarke Groves(VCG)auction *** approach ensures the strategic selection of verifiers and cultivates an ecosystem marked by truthfulness,rationality,and computational efficiency throughout the ESG data verification *** this framework,verifiers are not only encouraged but also properly incentivized,developing a more transparent and equitable verification process,thereby driving the ESG agenda towards a future defined by genuine,impactful corporate responsibility and sustainability.

关键词： Incentive mechanism ESG Artificial intelligence Truthfulness