检索结果-南通市图书馆

Enhancing carbon dioxide reduction electrocatalysis by tuning metal-support interactions: a first principles study

在线全文

学校读者我要写书评

暂无评论

Green Chemical Engineering 2023年第3期4卷 356-364页

作者： Riming Hu Yanan Yu Yongcheng Li Yiran Wang Jiaxiang Shang Xuchuan Jiang Institute for Smart Materials&Engineering University of JinanJinan250022China School of Physics and Electronics Shandong Normal UniversityJinan250358China Qinghai Provincial Key Laboratory of New Light Alloys Qinghai Provincial Engineering Research Center of High-Performance Light Metal Alloys and FormingQinghai UniversityXining810016China School of Materials Science and Engineering Beihang UniversityBeijing100191China School of Materials Science and Engineering University of JinanJinan250022China

The electrochemical reduction of CO_(2) is an extremely potential technique to achieve the goal of carbon neutrality,but the development of electrocatalysts with high activity,excellent product selectivity,and long-term durability remains a great challenge.Herein,the role of metal-supports interaction(MSI)between different active sites(including single and bimetallic atom sites consisting of Cu and Ni atoms)and carbon-based supports(including C_(2) N,C_(3)N_(4),N-coordination graphene,and graphdiyne)on catalytic activity,prod-uct selectivity,and thermodynamic stability towards CO_(2) reduction reaction(CRR)is systematically investi-gated by first principles calculations.Our results show that MSI is mainly related to the charge transfer behavior from metal sites to supports,and different MSI leads to diverse magnetic moments and d-band centers.Subsequently,the adsorption and catalytic performance can be efficiently improved by tuning MSI.Notably,the bimetallic atom supported graphdiyne not only exhibits a better catalytic activity,higher product selec-tivity,and higher thermodynamic stability,but also effectively inhibits the hydrogen evolution reaction.This finding provides a new research idea and optimization strategy for the rational design of high-efficiency CRR catalysts.

关键词： carbon dioxide reduction Metal-support interaction Bimetallic atoms carbon-based support First-principles calculation

Progress of Nb-containing catalysts for carbon dioxide reduction:a minireview

在线全文

学校读者我要写书评

暂无评论

Tungsten 2022年第4期4卷 284-295页

作者： Jun-Xian Gao Wen-Jie Tian Hua-Yang Zhang School of Environment and Civil Engineering Jiangnan UniversityWuxi214122China School of Chemical Engineering and Advanced Materials The University of AdelaideAdelaideSA5005Australia

Nb-containing catalysts have the potential to catalyze carbon dioxide(CO_(2))reduction due to their strong surface acidity and CO_(2)activation sites.Still,they have not been widely used in the development and design of catalysts due to the theoretical/cost/safety limitations.Related advances have been continuously reported in the literature,demonstrating to some extent the promise of catalytic applications of Nb-containing catalysts in this area.In this minireview,we discuss the structure-activity relationships of Nb-containing catalysts for photo-,electro-,and thermocatalytic reduction of CO_(2).The engineering strategies of Nb-containing catalysts for enhancing the conversion and selectivity of CO_(2)reduction are discussed,ranging from Nb doping,noble metal decoration,surface acidity adjustment,oxygen vacancy engineering,and heterojunction construction to Nb or Nb_(2)O_(5) particle decoration.The theoretical calculation research for the possible reaction paths and product selectivity is also discussed.Finally,the prospects for designing and optimizing Nb-containing catalysts are proposed.With a deep understanding of catalytic activity and reaction mechanism,this minireview is expected to present the optimization of the Nb-containing catalysts for efficient and highly selective CO_(2)reduction.

关键词： Niobium carbon dioxide reduction Photocatalysis Electrocatalysis Thermocatalysis

Boosting electrocatalytic selectivity in carbon dioxide reduction:The fundamental role of dispersing gold nanoparticles on silicon nanowires

在线全文

学校读者我要写书评

暂无评论

Chinese Chemical Letters 2022年第9期33卷 4380-4384页

作者： Fan Liao Xing Fan Huixian Shi Qing Li Mengjie Ma Wenxiang Zhu Haiping Lin Youyong Li Mingwang Shao Institute of Functional Nano&Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesSoochow UniversitySuzhou 215123China School of Physics and Information Technology Shaanxi Normal UniversityXi'an 710062China

carbon dioxide electrochemical reduction(CO_(2)RR)has been recognized as an efficient way to mitigate CO_(2)emissions and alleviate the pressure on global warming and associated environmental consequences.Gold(Au)is reported as stable and active electrocatalysts to convert CO_(2)to CO at low overpotential due to its moderate adsorption strength of^(*)COOH and^(*)CO.The request for improved catalytic performance,however,is motivated by current unsatisfied catalytic selectivity because of the side hydrogen evolution reaction.In this context,the design of Au based binary catalysts that can boost CO selectivity is of great interest.In the present work,we report that Au nanoparticles can be feasibly dispersed and anchored on silicon nanowires to form Au-Si binary nanomaterials.The Au-Si may stably drive CO_(2)RR with a CO Faraday efficiency of 95.6%at−0.6 V vs.RHE in 0.5 mol/L KHCO_(3)solution.Such selectivity outperforms Au particles by up to 61%.Controlled experiments illustrate that such catalytic enhancement can chiefly be ascribed to electronic effects of binary catalysts.Theoretical calculations reveal that spontaneously produced silicon oxide may not only inhibit hydrogen evolution reaction,but also stabilize the key intermediate^(*)COOH in CO formation.

关键词： Gold nanoparticles Silicon nanowires Electrocatalysis carbon dioxide reduction Noble metals

Operando Converting BiOCl into Bi_(2)O_(2)(CO_(3))_(x)Cl_(y) for Efficient Electrocatalytic reduction of carbon dioxide to Formate

在线全文

学校读者我要写书评

暂无评论

Nano-Micro Letters 2022年第7期14卷 263-278页

作者： Huai Qin Fu Junxian Liu Nicholas M.Bedford Yun Wang Joshua Wright Peng Fei Liu Chun Fang Wen Liang Wang Huajie Yin Dongchen Qi Porun Liu Hua Gui Yang Huijun Zhao Centre for Catalysis and Clean Energy Gold Coast CampusGriffith UniversityGold CoastQLD 4222Australia School of Chemical Engineering University of New South WalesSydneyNSW 2052Australia Department of Physics Illinois Institute of TechnologyChicagoIL 60616USA Key Laboratory for Ultrafine Materials of Ministry of Education School of Materials Science and EngineeringEast China University of Science and TechnologyShanghai 200237People’s Republic of China Centre for Materials Science School of Chemistry and PhysicsQueensland University of TechnologyBrisbaneQLD 4001Australia

Bismuth-based materials(e.g., metallic, oxides and subcarbonate) are emerged as promising electrocatalysts for converting CO_(2) to formate. However, Bio-based electrocatalysts possess high overpotentials, while bismuth oxides and subcarbonate encounter stability issues. This work is designated to exemplify that the operando synthesis can be an effective means to enhance the stability of electrocatalysts under operando CO_(2)RR conditions. A synthetic approach is developed to electrochemically convert Bi^(O)Cl into Cl-containing subcarbonate(Bi_(2)O_(2)(CO_(3))_(x)Cl_(y)) under operando CO_(2)RR conditions. The systematic operando spectroscopic studies depict that BiOCl is converted to Bi_(2)O_(2)(CO_(3))_(x)Cl_(y) via a cathodic potential-promoted anion-exchange process. The operando synthesizedBi_(2)O_(2)(CO_(3))_(x)Cl_(y) can tolerate-1.0 V versus RHE, while for the wet-chemistry synthesized pure Bi_(2)O_(2)CO_(3),the formation of metallic Bio occurs at-0.6 V versus RHE. At-0.8 V versus RHE, Bi_(2)O_(2)(CO_(3))_(x)Cl_(y) can readily attain a FEHCOO-of 97.9%,much higher than that of the pure Bi_(2)O_(2)CO_(3)(81.3%). DFT calculations indicate that differing from the pure Bi_(2)O_(2)CO_(3)-catalyzed CO_(2)RR, where formate is formed via a *OCHO intermediate step that requires a high energy input energy of 2.69 eV to proceed, the formation of H COO-over Bi_(2)O_(2)(CO_(3))_(x)Cl_(y) has proceeded via a *COOH intermediate step that only requires low energy input of 2.56 eV.

关键词： carbon dioxide reduction Chloride-containing bismuth subcarbonate Cathodic potential-promoted anion-exchange Stability

Sub-2 nm mixed metal oxide for electrochemical reduction of carbon dioxide to carbon monoxide

在线全文

学校读者我要写书评

暂无评论

能源化学:英文版 2023年第9期84卷 303-310页

作者： Devina Thasia Wijaya Andi Haryanto Hyun Woo Lim Kyoungsuk Jin Chan Woo Lee Department of Chemistry Kookmin UniversitySeoul 02707Republic of Korea Department of Materials Science and Engineering Seoul National UniversitySeoul 08826Republic of Korea Department of Chemistry Korea UniversitySeoul 02841Republic of Korea

Mixed metal oxide(MMO) represents a critical class of materials that can allow for obtaining a dynamic interface between its components:reduced metal and its metal oxide counterpart during an electrocatalytic reaction.Here,a synthetic method utilizing a MOF-derived micro/mesoporous carbon as a template to prepare sub-2 nm MMO catalysts for CO_(2) electro reduction is reported.Starting from the zeolite imidazolate framework(ZIF-8),the pyrolyzed derivatives were used to synthesize sub-2 nm Pd-Ni MMO with different compositions.The Ni-rich(Pd_(20)-Ni_(80)/ZC) catalyst exhibits unexpectedly superior performance for CO production with an improved Faradaic efficiency(FE) of 95.3% at the current density of 200 mA cm^(-2) at-0.56 V vs.reversible hydrogen electrode(RHE) compared to other Pd-Ni compositions.X-ray photoelectron spectroscopy(XPS) analysis confirms the presence of Ni^(2+) and Pd^(2+) in all compositions,demonstrating the presence of MMO.Density functional theory(DFT) calculation reveals that the lower CO binding energy on the surface of the Pd_(20)-Ni_(80) cluster eases CO desorption,thus increasing its production.This work provides a general synthetic strategy for MMO electrocatalysts and can pave a new way for screening multimetallic catalysts with a dynamic electrochemical interface.

关键词： carbon dioxide reduction Mixed metal oxide Nanoalloy carbon monoxide Metal-organic framework

Catalytic reduction of carbon dioxide over two-dimensional boron monolayer

在线全文

学校读者我要写书评

暂无评论

Journal of Materials Science & Technology 2022年第15期110卷 96-102页

作者： Chuangwei Liu Tianyi Wang Derek Hao Qinye Li Song Li Chenghua Sun School of Chemical Engineering and Energy Technology Dongguan University of TechnologyDongguan 523808China Key Laboratory for Anisotropy and Texture of Materials School of Materials Science and Engineering Northeastern UniversityShenyang 110819China Department of Chemistry and Biotechnology and Centre for Translational Atomaterials School of ScienceSwinburne University of TechnologyHawthornAustralian 3122Australia Centre for Technology in Water and Wastewater(CTWW) School of Civil and Environmental EngineeringUniversity of Technology SydneyNew South Wales 2007Australia

carbon dioxide reduction(CRR)is an attractive strategy for alleviating global warming and producing valuable fuels.In this work,we study the catalytic conversion of CO_(2)to C__(1)-C_(3) products on boron nanosheet in the presence of compressive strain by using density functional theory.Thermodynamic and microkinetic models are applied to demonstrate the favorable products,critical steps,and hydrogenation mechanisms.As demonstrated,the strain can turn metallic two-dimensional boron nanosheet to semiconductor,not only making boron sheets possess photo(electro)catalytic activity,but also improving energy efficiency and selectivity performance against hydrogen evolution reaction.By introducing the aqueous electrolytes,the hydrated alkali cations not only effect on the CO_(2) concentration,but also produce a bigger surface charge density and stronger interfacial electric filed.Especially,the selectivity of C_(2+) products is enhanced with the increase of alkali cations size by decreasing the kinetic barrier for CO dimerization and stabilizing the intermediates.The results highlight the significance of metal-free catalysts for CRR by the photoelectrochemical method and provide novel avenues for the development of new solar-energy utilization catalysts.

关键词： carbon dioxide reduction Metal-free Boron nanosheet Density functional theory Strain engineering Alkali cation

Highly efficient multi-metal catalysts for carbon dioxide reduction prepared from atomically sequenced metal organic frameworks

在线全文

学校读者我要写书评

暂无评论

Nano Research 2021年第2期14卷 493-500页

作者： Celia Castillo-Blas Consuelo Alvarez-Galvan Ines Puente-Orench Alba Garcia-Sanchez Freddy E.Oropeza Enrique Gutirrez-Puebla Angeles Monge Victor A.de la Pena-O'hea Felipe Gandara Materials Science Institute of Madrid(CSIC) C/Sor Juana Ines de la Cruz 3Madrid 28049Spain Instituto de Catalisis y Petroleoquimica(CSIC) dM arie Curie 2Madrid 28049Spain Instituto de Ciencia de Materiales de Aragon Pedro Cerbuna 12Zaragoza 50009Spain Institut Laue Langevin 71 Avenue des Martyrs38042 GrenobleFrance Photoactivated Processes Unit IMDEA Energy Institute Mostoles Technology ParkAvenida Ramdn de la Sagra 3MostolesMadrid 28935Spain Department of Inorganic Chemistry University Autonomous of MadridC/Frandsco Tomdsy Valiente 7Madrid 28049Spain

The precise control on the combination of multiple metal atoms in the structure of metal-organic frameworks(MOFs)endowed by reticular chemistry,allows the obtaining of materials with compositions that are programmed for achieving enhanced reactivity.The present work illustrates how through the transformation of MOFs with desired arrangements of metal cations,multi-metal spinel oxides with precise compositions can be obtained,and used as catalyst precursor for the reverse water-gas shift reaction.The differences in the spinel initial composition and structure,determined by neutron powder diffraction,influence the overall catalytic activity with changes in the process of in s itu formation of active,metal-oxide supported metal nanoparticles,which have been monitored and characterized with in situ X-ray diffraction and photoelectron spectroscopy studies.

关键词： reticular chemistry multi-metal metal-organic frameworks(MOFs) carbon dioxide reduction heterogeneous catalysis reverse water-gas shift in-situ X-ray photoelectron spectroscopy(XPS)

Photo-induced carbon dioxide reduction on hexagonal tungsten oxide via an oxygen vacancies-involved process

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Chemical Letters 2023年第1期34卷 410-414页

作者： Yi Wang Runze Liu Ming Shi Panwang Zhou Keli Han Can Li Rengui Li State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian National Laboratory for Clean EnergyDalian 116023China University of Chinese Academy of Sciences Beijing 100049China Institute of Molecular Sciences and Engineering Shandong UniversityQingdao 266235China State Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China

Although converting the greenhouse gasses carbon dioxide(CO_(2))into solar fuels is regarded as a convenient means of solar energy storage,the intrinsic mechanism on how the high chemical inertness linear CO_(2)molecules is activated and converted on a semiconductor oxide is still elusive.Herein,by creating the oxygen vacancies on the typical hexagonal tungsten oxide(WO3),we realize the continuous photoinduced CO_(2)reduction to selectively produce CO under light irradiation,which was verified by isotope labeling experiment.Detailed oxygen vacancies evolution investigation indicates that light irradiation can simultaneously induce the in-situ formation of oxygen vacancies on hexagonal WO3,and the oxygen vacancies promote the adsorption and activation of CO_(2)molecules,leading to the CO_(2)reduction to CO on the hexagonal WO3via an oxygen vacancies-involved process.Besides,the existence of water further promotes the formation of CO_(2)reduction intermediate,further promote the CO_(2)photoreduction.Our work provides insight on the mechanism for converting CO_(2)into CO under light irradiation.

关键词： carbon dioxide reduction Oxygen vacancy Photocatalysis Reaction mechanism Tungsten oxide

Recent Progress on Bismuth-based Nanomaterials for Electrocatalytic carbon dioxide reduction

在线全文

学校读者我要写书评

暂无评论

Chemical Research in Chinese Universities 2020年第3期36卷 410-419页

作者： YANG Chan CHAI Jiaxin WANG Zhe XING Yonglei PENG Juan YAN Qingyu State Key Laboratory of High-efficiency Coal Utilization ami Green Chemical Engineering School of Chemistry and Chemical EngineenngNingxia UniversityYinchuan 750021P.R.China Energy Research Institute at Nanyang Technological University(ERI@N) Natiyang Technological University639798Singapore School of Materials Science and Engineering Nanyang Technological University639798Singapore

Due to the burning of fossil fuels,the level of carbon dioxide(CO2)in the atmosphere gradually rises,leading to serious greenhouse effect and environmental problems.Electrocatalytic reduction of CO2 is currently an efficient way to convert CO2 to value-added products.Bismuth(Bi)-based nanomaterials have raised great interests due to their excellent activity and high selectivity to electrocatalytic CO2 reduction.In this review,the fundamental principles of electrochemical CO2 reduction reaction(CO2RR)are introduced at first.Moreover,the recent development of Bi-based electrocatalytic materials including Bi with various nanostructures(nanoparticle,nanosheet.etc.),Bi-based compounds(Bi oxide,bimetal chalcogenide,etc.),and Bi/C nanocomposites are summarized.In the end,the future prospects and challenges of electrocatalysts for CO2 reduction are discussed.

关键词： Electrocatalysis carbon dioxide reduction Nanostructure Compound Nano-composite