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SSRN 2023年

作者： Kim, Hyejin Min, Kyeongseok Song, Giseong Kim, Junseong Ham, Hyung Chul Baeck, Sung-Hyeon Department of Chemistry and Chemical Engineering Education and Research Center for Smart Energy Materials and Process Inha University Incheon22212 Korea Republic of

Efficiency of water electrolysis critically relies on the development of highly active electrocatalysts for the oxygen evolution reaction (OER). In this study, we propose facile preparation method for hollow-structured nanospheres of Fe and F dual-doped CoS2 (Fe-CoS2-F) as efficient OER electrocatalyst. The uniform hollow and porous structure of the Fe-CoS2-F enhances the specific surface area and increases the number of exposed active sites. Furthermore, Fe and F dual-dopants synergistically adjust the surface electronic structure, thereby promoting the adsorption/desorption of reaction intermediates on the active sites during the alkaline OER process. As a result, the Fe-CoS2-F exhibits outstanding OER activity, demonstrating low overpotential of 298 mV at current density of 10 mA cm−2 and small Tafel slope of 46.0 mV dec−1. Theoretical calculations support these findings by revealing that the incorporation of dual-dopants into the CoS2 structure reduces the overly strong adsorption energy of reaction intermediates in the rate determining step. © 2023, The Authors. All rights reserved.

关键词： Sulfur compounds

Hollow-Structured Cobalt Sulfide Electrocatalyst for Alkaline Oxygen Evolution Reaction: Rational Tuning of Electronic Structure Using Iron and Fluorine Dual-Doping Strategy

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SSRN 2023年

关键词： Sulfur compounds

The adsorption properties of NaY zeolite for separation of ethylene glycol and 1,2-butanediol: Experiment and molecular modelling

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Green Energy & Environment 2021年第1期6卷 102-113页

作者： Pei Xiong Peng He Yixin Qu Liguo Wang Yan Cao Shuang Xu Jiaqiang Chen Muhammad Ammar Huiquan Li College of Chemical Engineering Beijing University of Chemical TechnologyBeijing100029China CAS Key Laboratory of Green Process and Engineering National Engineering Laboratory for Hydrometallurgical Cleaner Production TechnologyInstitute of Process EngineeringChinese Academy of SciencesBeijing100190China Sino-Danish Colleg5 University of Chinese Academy of SciencesBeijing100049China Sino-Danish Center for Education and Research University of Chinese Academy of SciencesBeijing10049China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China Dalian National Laboratory for Clean Energy Dalian116023China Department of Chemical Engineering Technology Government College UniversityFaisalabad 38000Pakistan

The separation of ethylene glycol(EG)and 1,2-butanediol(1,2-BDO)azeotrope in the synthesis process of EG via coal and biomass is becoming of increasing commercial and environmental *** adsorption is deemed as the most promising methods because of energy saving and environment *** this paper,NaY zeolite was used to separate 1,2-BDO from EG,and its adsorption properties was then *** isotherms of EG and 1,2-BDO in vapor and liquid phases from 298 to 328 K indicated that they fitted Langmuir model quite well,and the NaY zeolite absorbent favored EG more than 1,*** Grand Canonical Monte Carlo(GCMC)and molecular dynamics(MD)simulation techniques were conducted to investigate the competition adsorption and diffusion characteristics in different adsorption *** was observed that EG and 1,2-BDO molecules all have the most probable locations of the center of the 12-membered ring near the Na *** diffusivities of EG are lower than those of 1,2-BDO at the same adsorption *** last,the breakthrough curves of the binary mixture regressed from the empirical Dose–Response model in fixed-bed column showed that the adsorption selectivity of EG could reach to as high as 2.43,verified that the NaY zeolite could effectively separate EG from 1,*** work is also helpful for further separation of other dihydric alcohol mixtures from coal and biomass fermentation.

关键词： Adsorption mechanism Ethylene glycol(EG) 1,2-Butanediol(1,2-BDO) NaY zeolite Fixed-bed column tests

Numerical simulations and comparative analysis of two- and three-dimensional circulating fluidized bed reactors for CO2 capture

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Chinese Journal of chemical engineering 2020年第12期28卷 2955-2967页

作者： Yefeng Zhou Yifan Han Yujian Lu Hongcun Bai Xiayi Hu Xincheng Zhang Fanghua Xie Xiao Luo Jingdai Wang Yongrong Yang National&Local United Engineering Research Centre for Chemical Process Simulation and Intensification Chemical Process Simulation and Optimization Engineering Research Center of Ministry of EducationXiangtan UniversityXiangtan 411105China State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering Ningxia UniversityYinchuan 750021China College of Chemistry and Chemical Engineering Hunan UniversityChangsha 410082China State Key Laboratory of Chemical Engineering College of Chemical and Biological EngineeringDepartment of Chemical EngineeringZhejiang UniversityHangzhou 310027China

Carbon dioxide(CO2),the main gas emitted from fossil burning,is the primary contributor to global *** fluidized bed reactor(CFBR)is proved as an energy-efficient method for post-combustion CO2 *** numerical simulation by computational fluid dynamics(CFD)is believed as a promising tool to study CO2 adsorption process in *** three-dimensional(3D)simulations were proved to have better predicting performance with the experimental results,two-dimensional(2D)simulations have been widely reported for qualitative and quantitative studies on gas-solid behavior in CFBR for its higher computational efficiency ***,the discrepancies between 2D and 3D simulations have rarely been evaluated by detailed *** that the differences between the 2D and 3D simulations will vary substantially with the changes of independent operating conditions,it is beneficial to lower computational costs to clarify the effects of dimensionality on the numerical CO2 adsorption runs under various operating *** this work,the comparative analysis for CO2 adsorption in 2D and 3D simulations was conducted to enlighten the effects of dimensionality on the hydrodynamics and reaction behaviors,in which the separation rate,species distribution and hydrodynamic characteristics were comparatively studied for both model *** both accuracy and computational costs considered,the viable suggestions were provided in selecting appropriate model frame for the studies on optimization of operating conditions,which directly affect the capture and energy efficiencies of cyclic CO2 capture process in CFBR.

关键词： Two-and three-dimensional simulations Circulating fluidized bed reactor Carbon dioxide adsorption Computational fluid dynamics Operating conditions

Regulating the Electronic Structure of Ni2p by One-Step Co, N Dual-Doping for Boosting Electrocatalytic Performance Toward Oxygen Evolution Reaction and Urea Oxidation Reaction

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SSRN 2023年

作者： Kim, Minjung Min, Kyeongseok Ko, Dasol Seong, Haemin Shim, Sang Eun Baeck, Sung-Hyeon Department of Chemistry and Chemical Engineering Education and Research Center for Smart Energy Materials and Process Inha University Incheon22212 Korea Republic of

The development of efficient bifunctional electrocatalysts for oxygen evolution reaction (OER) and urea oxidation reaction (UOR) is critical for hydrogen production and wastewater purification. In this work, we propose a facile synthetic method for Co and N dual-doped Ni2P directly grown on Ni foam (Co-Ni2P-N/NF) using hydrothermal and annealing process. Simultaneous Co and N dual-doping into Ni2P not only modifies the surface electronic structure, but also generates a multitude of active sites with high valence states, which are beneficial for improving electrocatalytic kinetics for both OER and UOR. As a result, the Co-Ni2P-N/NF catalyst exhibits a low overpotential of 329 mV to deliver a current density of 100 mA cm−2 for OER in alkaline solution, which is much lower than that of the state-of-the-art RuO2 electrocatalyst. In addition, the urea-assisted water oxidation process exhibits a significant reduction of approximately 163 mV in the required potential at 100 mA cm−2 compared to that of the OER, which highlights the remarkable potential of the prepared Co-Ni2P-N/NF electrocatalyst in facilitating the purification of wastewater and hydrogen production with significantly lower energy consumption. © 2023, The Authors. All rights reserved.

关键词： Electrocatalysts

Boosting the Electrocatalytic Performance for Rechargeable Zn-Air Battery: Synergistic Effect of Co/Cos2 Interface engineering and N, S Dual-Doping into Cnts

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SSRN 2023年

作者： Min, Sojeong Min, Kyeongseok Lee, Geunchang Kim, Junseong Shim, Sang Eun Baeck, Sung-Hyeon Department of Chemistry and Chemical Engineering Education and Research Center for Smart Energy Materials and Process Inha University Incheon22212 Korea Republic of

In this study, we report on the preparation of uniform hollow-structured Co/CoS2 nanoparticles encapsulated within N, S co-doped carbon nanotubes (NSCNTs). The bifunctional electrocatalytic performance of these materials for ORR and OER is significantly enhanced by the synergistic effect of strongly coupled Mott-Schottky junctions in the Co/CoS2 nanoparticles and abundant heteroatom dopants in the CNT shells. The Co/CoS2/NSCNT exhibits half-wave potential of 0.890 V vs. RHE and overpotential of 359 mV at 10 mA cm−2 for ORR and OER, respectively. Moreover, rechargeable ZAB assembled with the Co/CoS2/NSCNT catalyst delivers a specific capacity of 746 mAh gZn−1 and a peak power density of 156.8 mW cm−2, which exceed those values of precious metal-based ZAB (673 mAh gZn−1 and 136.9 mW cm−2, respectively). These findings demonstrate the potential of Co/CoS2/NSCNTs as high-performance electrocatalysts for rechargeable ZABs, and provide insights into the design of efficient and cost-effective electrocatalysts for energy storage applications. © 2023, The Authors. All rights reserved.

关键词： Electrocatalysts

Coupling a titanium dioxide based heterostructure photoanode with electroless-deposited nickel-phosphorus alloy coating on magnesium alloy for enhanced corrosion protection

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Journal of Materials Science & Technology 2022年第31期126卷 252-265页

作者： Yue Liu Feng Peng Guang-Ling Yang Zhi-Hui Xie Wenxin Dai Yuejun Ouyang Liang Wu Chuan-Jian Zhong Chemical Synthesis and Pollution Control Key Laboratory of Sichuan Province College of Chemistry and Chemical EngineeringChina West Normal UniversityNanchong 637002China Medical Research Center Department of OrthopedicsGuangdong Provincial People’s HospitalGuangdong Academy of Medical SciencesGuangzhou 510080China State Key Laboratory of Photocatalysis on Energy and Environment Fuzhou UniversityFuzhou 350116China Hunan Engineering Laboratory for Preparation Technology of Polyvinyl Alcohol(PVA)Fiber Material Huaihua UniversityHuaihua 418000China College of Materials Science and Engineering/National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China Department of Chemistry State University of New York at BinghamtonBinghamtonNY13902United States

The utilization of photoelectrochemical cathodic protection(PECCP)enables an indirect corrosion pro-tection of metals with low self-corrosion potential by introducing a metallic nickel ***,the ability to enhance the PECCP efficiency remains challenging because of the inherent property of the ***,this ability is demonstrated by coupling a covalent organic framework(TpBD)dec-orated TiO 2 photoanode(TiO 2/TpBD)with nickel coating on magnesium alloy for an effective corrosion *** composite photoanode showed direct PECCP for the nickel interlayer and indirect corro-sion protection of the magnesium *** composite structure of the nanotube array and the covalent organic framework for the photoanode were confirmed by field emission scanning electron microscopy(FESEM),transmission electron microscopy(TEM),and X-ray photoelectron spectroscopy(XPS).The en-hanced photoelectrochemical conversion capability and PECCP performance of the nickel-coated Mg alloy were evidenced by the results from electrochemical and photoelectrochemical measurements including Mott-Schottky curves,photoinduced potential variations,and electrochemical impedance spectroscopy(EIS).Lastly,a corrosion protection mechanism is proposed,where the enhanced PECCP efficiency is at-tributed to the formation of a direct Z-scheme heterojunction,which is substantiated by the results from valence band(VB)XPS and electron spin resonance characterizations.

关键词： Magnesium alloy Corrosion Nickel coating Electroless Photoelectrochemical cathodic protection

Platinum clusters stabilized by zincosilicate zeolite for efficient propane dehydrogenation

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Chinese Journal of Catalysis 2025年第4期71卷 208-219页

作者： Hao Liu Ying Zhang Liyang Liu Tianxiang Chen Xingcong Zhang Peng Hu Chao Xiong Jie Zhou Hao Zhang Lihui Dong Tsz Woon Benedict Lo Bing Nan Xiaohui He Hongbing Ji Key Laboratory of Bioinorganicand Synthetic Chemistry of Ministry of Education Fine Chemical Industry Research InstituteSchool of ChemistryIGCMESun Yat-sen UniversityGuangzhou 510275GuangdongChina Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology School of Chemistry and Chemical EngineeringGuangxi UniversityNanning 530004GuangxiChina Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteShanghai 200120China State Key Laboratory of Chemical Biology and Drug Discovery Department of Applied Biology and Chemical TechnologyThe Hong Kong Polytechnic UniversityHunghomHong KongChina State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology Institute of Green Petroleum Processing and Light Hydrocarbon ConversionCollege of Chemical EngineeringZhejiang University of TechnologyHangzhou 310014ZhejiangChina Guangdong Technology Research Center for Synthesis and Separation of Thermosensitive Chemicals Guangzhou 510006GuangdongChina

Dispersing metals from nanoparticles to clusters is often achieved using ligand protection methods,which exhibit unique properties such as suppressing structure-sensitive side ***,this method is limited by the use of different metal precursor salts corresponding to different *** alternative approach,the ion exchange(IE)method,can overcome this limitation to some ***,there is still an urgent need to address the stabilization of metals(especially precious metals)by using IE ***,we reported a Pt cluster catalyst prepared mainly by anchoring Pt atoms via O located near the framework Zn in zincosilicate zeolites and riveted by zeolite surface rings after reduction(reduced Pt/Zn-3-IE).The catalyst can achieve an initial propane conversion of 26%in a pure propane atmosphere at 550℃and shows little deactivation even after 7.5 d of ***,the alteration of catalyst by the introduction of framework Zn was also highlighted and interpreted.

关键词： Zincosilicate zeolite Acid-site identification Rivet effect Pt clusters Propane dehydrogenation

CeO_(2) doping boosted low-temperature NH3-SCR activity of FeTiOx catalyst:A microstructure analysis and reaction mechanistic study

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Frontiers of Environmental Science & engineering 2022年第5期16卷 69-81页

作者： Wei Tan Shaohua Xie Wenpo Shan Zhihua Lian Lijuan Xie Annai Liu Fei Gao Lin Dong Hong He Fudong Liu Department of Civil Environmentaland Construction EngineeringCatalysis Cluster for Renewable Energy and Chemical Transformations(REACT)NanoScience Technology Center(NSTC)University of Central FloridaOrlandoFL32816USA Key Laboratory of Mesoscopic Chemistry of MOE School of Chemistry and Chemical EngineeringJiangsu Key Laboratory of Vehicle Emissions ControlSchool of EnvironmentCenter of Modern AnalysisNanjing UniversityNanjing 210023China State Key Joint Laboratory of Environment Simulation and Pollution Control Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China Key Laboratory of Urban Pollutant Conversion Institute of Urban EnvironmentChinese Academy of SciencesXiamen 361021China Institute of Engineering Technology Sinopec Catalyst Co.Ltd.Sinopec GroupBeijing 101111China

FeTiOx has been recognized as an environmental-friendly and cost-effective catalyst for selective catalytic reduction(SCR)of NOx with *** at further improving the low-temperature DeNOx efficiency of FeTiOx catalyst,a simple strategy of CeO_(2) doping was *** low-temperature(<250°C)NH3-SCR activity of FeTiOx catalyst could be dramatically enhanced by CeO2 doping,and the optimal composition of the catalyst was confirmed as FeCe_(0.2)TiOx,which performed a NOx conversion of 90%at ca.200°*** to X-ray diffraction(XRD),Raman spectra and X-ray absorption fine structure spectroscopy(XAFS)analysis,FeCe_(0.2)TiOx showed low crystallinity,with Fe and Ce species well mixed with each *** on the fitting results of extended X-ray absorption fine structure(EXAFS),a unique Ce-O-Fe structure was formed in FeCe_(0.2)TiOx *** well improved specific surface area and the newly formed Ce-O-Fe structure dramatically contributed to the improvement of the redox property of FeCe_(0.2)TiOx catalyst,which was well confirmed by H2-temperature-programmed reduction(H2-TPR)and in situ XAFS *** enhanced redox capability could benefit the activation of NO and NH_(3) at low temperatures for NOx *** detailed reaction mechanism study further suggested that the facile oxidative dehydrogenation of NH_(3) to highly reactive-NH_(2) played a key role in enhancing the low-temperature NH_(3)-SCR performance of FeCe_(0.2)TiOx catalyst.

关键词： NH3-SCR CeO_(2)doping Low-temperature NOx removal Improved redox property In situ XAFS analysis

Fluorinated inverse opal carbon nitride combined with vanadium pentoxide as a Z-scheme photocatalyst with enhanced photocatalytic activity

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Chinese chemical Letters 2022年第8期33卷 3797-3801页

作者： Ningkai Ding Bin Chen Liang Zhou Lingzhi Wang Yongdi Liu Jinlong Zhang Juying Lei State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process East China University of Science and TechnologyShanghai 200237China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092China Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering Feringa Nobel Prize Scientist Joint Research CenterSchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China Shanghai Engineering Research Center for Multi-media Environmental Catalysis and Resource Utilization East China University of Science and TechnologyShanghai 200237China

In this work,Z-scheme V_(2)O_(5) loaded fluorinated inverse opal carbon nitride(IO F-CN/V_(2)O_(5)) was synthesized as a product of ternary collaborative modification with heterostructure construction,element doping and inverse opal *** catalyst presented the highest photocatalytic activity and rate constant for degradation of typical organic pollutants Rhodamine B(RhB)and was also used for the efficient removal of antibiotics,represented by norfloxacin(NOR),sulfadiazine(SD)and levofloxacin(LVX).Characterizations confirmed its increased specific surface area,narrowed bandgap,and enhanced visible light utilization *** mechanism study including band structure study and electron paramagnetic resonance(EPR)proved the successful construction of Z-scheme heterojunction,which improved photogenerated charge carrier migration and provide sufficient free radicals for the degradation *** combination of different modifications contributed to the synergetic improvement of removal efficiency towards different organic pollutants.

关键词： Carbon nitride Inverse opal structure Vanadium pentoxide Fluorinate Organic pollutants degradation