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Tuning electronic structure of RuO_(2)by single atom Zn and oxygen vacancies to boost oxygen evolution reaction in acidic medium

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Journal of Energy Chemistry 2024年第1期88卷 94-102,I0003页

作者： Qing Qin Tiantian Wang Zijian li Guolin Zhang Haeseong Jang liqiang hou Yu Wang Min gyu Kim Shangguo liu Xien liu College of Chemical Engineering Qingdao University of Science and TechnologyQingdao 266042ShandongChina Department of Chemistry City University of Hong KongHong Kong 999077China Department of Advanced Materials Engineering Chung-Ang UniversityAnseong-siGyeonggi-do 17546SeoulRepublic of Korea Beamline Research Division Pohang Accelerator Laboratory(PAL)Pohang 37673Gyeongsangbuk-doRepublic of Korea

The poor stability of RuO_(2)electrocatalysts has been the primary obstacles for their practical application in polymer electrolyte membrane *** dramatically enhance the durability of RuO_(2)to construct activity-stability trade-off model is full of significance but ***,a single atom Zn stabilized RuO_(2)with enriched oxygen vacancies(SA Zn-RuO_(2))is developed as a promising alternative to iridium oxide for acidic oxygen evolution reaction(OER).Compared with commercial RuO_(2),the enhanced Ru–O bond strength of SA Zn-RuO_(2)by forming Zn-O-Ru local structure motif is favorable to stabilize surface Ru,while the electrons transferred from Zn single atoms to adjacent Ru atoms protects the Ru active sites from ***,the optimized surrounding electronic structure of Ru sites in SA ZnRuO_(2)decreases the adsorption energies of OER intermediates to reduce the reaction *** a result,the representative SA Zn-RuO_(2)exhibits a low overpotential of 210 mV to achieve 10 mA cm^(-2)and a greatly enhanced durability than commercial RuO_(2).This work provides a promising dual-engineering strategy by coupling single atom doping and vacancy for the tradeoff of high activity and catalytic stability toward acidic OER.

关键词： Electrocatalyst Acidic oxygen evolution reaction Electronic structure engineering Durability Reaction barrier

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Electron-deficient ZnO induced by heterointerface engineering as the dominant active component to boost CO_(2)-to-formate conversion

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Carbon Energy 2024年第5期6卷 127-136页

作者： Qing Qin Zijian li Yingzheng Zhang Haeseong Jang li Zhai liqiang hou Xiaoqian Wei Zhe Wang Min gyu Kim Shangguo liu Xien liu College of Chemical Engineering Qingdao University of Science and TechnologyQingdaoChina Department of Chemistry City University of Hong KongHong Kong SARChina Department of Advanced Materials Engineering Chung-Ang UniversityAnseong-siGyeonggi-doRepublic of Korea Beamline Research Division Pohang Accelerator Laboratory(PAL)PohangRepublic of Korea

Electrocatalytic CO_(2)-to-formate conversion is considered an economically viable *** general,Zn-based nanomaterials are well-known to be highly efficient electrocatalysts for the conversion of CO_(2) to CO,but seldom do they exhibit excellent selectivity toward *** this article,we demonstrate that a heterointerface catalyst ZnO/ZnSnO3 with nanosheet morphology shows enhanced selectivity with a maximum Faradaic efficiency(FE)of 86%at−0.9 V versus reversible hydrogen electrode and larger current density for the conversion of CO_(2) to formate than pristine ZnO and *** particular,the FEs of the C1 products(CO+HCOO−)exceed 98%over the potential *** experimental measurements combined with theoretical calculations revealed that the ZnO in ZnO/ZnSnO3 heterojunction delivers the valence electron depletion and accordingly optimizes Zn d-band center,which results in moderate Zn-O hybridization of HCOO*and weakened Zn-C hybridization of competing COOH*,thus greatly boosting the HCOOH *** study highlights the importance of charge redistribution in catalysts on the selectivity of electrochemical CO_(2) reduction.

关键词： charge redistribution CO_(2)reduction reaction electrocatalyst heterointerfaces selectivity

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Magnetic field regression using artificial neural networks for cold atom experiments

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Chinese Physics B 2024年第2期33卷 46-51页

作者：陈子霆黃建陶 Bojeong Seo 黄明琛 Mithilesh K.Parit 何逸飞甄浩廷 Jensen li gyu-Boong Jo Department of Physics The Hong Kong University of Science and TechnologyKowloon 999077China

Accurately measuring magnetic fields is essential for magnetic-field sensitive experiments in areas like atomic,molecular,and optical physics,condensed matter experiments,and other ***,since many experiments are often conducted in an isolated environment that is inaccessible to experimentalists,it can be challenging to accurately determine the magnetic field at the target ***,we propose an efficient method for detecting magnetic fields with the assistance of an artificial neural network(NN).Instead of measuring the magnetic field directly at the desired location,we detect fields at several surrounding positions,and a trained NN can accurately predict the magnetic field at the target *** training,we achieve a below 0.3%relative prediction error of magnetic field magnitude at the center of the vacuum chamber,and successfully apply this method to our erbium quantum gas apparatus for accurate calibration of magnetic field and long-term monitoring of environmental stray magnetic *** demonstrated approach significantly simplifies the process of determining magnetic fields in isolated environments and can be applied to various research fields across a wide range of magnetic field magnitudes.

关键词： ultracold gases trapped gases measurement methods and instrumentation

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Revealing the influence of in-situ formed liCl on garnet/li interface for dendrite-free solid-state batteries

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Journal of Energy Chemistry 2024年第5期92卷 394-403页

作者： Seoyoon Shin Jinuk Lee Tae ho Shin Seokhee Lee Hydrogen Energy Materials Center Korea Institute of Ceramic Engineering&TechnologyJinju-siGyeongsangnam-do 52851Republic of Korea Department of Materials Science and Engineering Yonsei UniversitySeoul 03722Republic of Korea

Inadequate interfacial contact between lithium and solid-state electrolytes(SSEs)leads to elevated impedance and the growth of lithium dendrites,presenting significant obstacles to the practical viability of solid-state batteries(SSBs).To ameliorate interfacial contact,optimizing the surface treatment of SSEs has been widely ***,the formation of liCl through acid treatment,an equally crucial factor impacting SSB performance,has received limited attention,leaving its underlying mechanism *** study aims to shed light on SSE characteristics following liCl formation and the removal of li_(2)CO_(3) through acid *** seek to establish quantifiable links between SSE surface structure and SSB performance,focusing on interfacial resistance,current distribution,critical current density(CCD),and lithium *** formation of liCl,occurring as li_(2)CO_(3) is removed through acid treatment,effectively mitigates lithium dendrite formation on SSE *** action inhibits electron injection and reduces the diffusion rate of li ***,acid treatment transforms the SSE surface into a lithiophilic state by eliminating surface li_(2)CO_(3).Consequently,the interfacial resistance between lithium and SSEs substantially decreases from 487.67 to 35.99Ωcm^(2) at 25°*** leads to a notably high CCD of 1.3 mA cm^(-2) and a significantly extended cycle life of 1,000 ***,in full SSBs incorporating liCoO_(2)cathodes and acid-treated garnet SSEs,we observe exceptional cyclability and rate *** findings highlight that acid treatment not only establishes a fundamental relationship between SSE surfaces and battery performance but also offers an effective strategy for addressing interfacial challenges in SSBs.

关键词： Solid-statebatteries Acidtreatment Interfacial stability liCl Surface modification

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Development and application of photocatalytic coating for roadside NO_(x) mitigation in hong Kong

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Chinese Chemical Letters 2024年第3期35卷 153-157页

作者： Xinwei li Pengge Wang Shuwen Han Yu Huang Wingkei ho Steven Sai Hang ho Shun-cheng Lee Meng Wang Department of Civil and Environmental Engineering The Hong Kong Polytechnic UniversityHong KongChina State Key Laboratory of Loess and Quaternary Geology(SKLLQG)and Key Laboratory of Aerosol Chemistry and Physics Institute of Earth EnvironmentChinese Academy of SciencesXi'an 710061China Department of Science and Environmental Studies The Education University of Hong KongHong KongChina Division of Atmospheric Sciences Desert Research InstituteRenoNV 89512United States

A facile chemical method for the development of photocatalytic coating products was proposed based on practical application perspective for the hong Kong roadside nitrogen oxides(NO_(x))***_(2)-based photocatalytic coating PC-C film with crystallized size of around 5–6 nm was synthesized with the peptization of H_(2)O_(2).The PC-C coating possesses a super-hydrophilicity surface and is proven to have a NO_(x)degradation rate of 46.8%with an optimum pH level of *** addition,the PC-C coating presents a promising photocatalytic NO_(x)degradation compared with other commercially available coating products and P25 when applied on two building materials of poly-methyl methacrylate(PMMA)and concrete surface.A weather resistance simulation and a 180-day on-site field trial were carried out the attenuation effects of photocatalytic coating applied in outdoor *** on epidemiological estimation and field investigation,hospital admissions for respiratory diseases(HARD)and mortality cases(MC)could be reduced with the application of PC-C coating along the street *** work demonstrates the feasibility of air pollution control measures for the local roadside NO_(x)using photocatalytic technology,offering promising health benefits with environmental remediation.

关键词： Photocatalysis Coating NO_(x) mitigation hong Kong Roadside

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p-wave resonances in the exponential cosine screened Coulomb potential

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Communications in Theoretical Physics 2024年第7期76卷 107-115页

作者： Yuan-Cheng Wang li Guang Jiao Aihua liu Yew Kam ho Stephan Fritzsche College of Physical Science and Technology Shenyang Normal University College of Physics Jilin University Helmholtz-Institut Jena GSI Helmholtzzentrum fur Schwerionenforschung GmbH Institute of Atomic and Molecular Physics Jilin University Institute of Atomic and Molecular Sciences Academia Sinica

We perform benchmark calculations of the p-wave resonances in the exponentially cosine screened Coulomb potential using the uniform complex-scaling generalized pseudo-spectral method. The present results show significant improvement in calculation accuracy compared to previous predictions and correct the misidentification of resonance electron configuration in previous works. It is found that the resonance states approximately follow an n2-scaling law which is similar to the bound counterparts. The birth of a new resonance would distort the trajectory of an adjacent higher-lying resonance.

关键词： complex-scaling method exponential cosine screened Coulomb potential generalized pseudospectral method shape resonance

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Leaching kinetics of fluorine during the aluminum removal from spent li-ion battery cathode materials

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Journal of Environmental Sciences 2024年第4期138卷 312-325页

作者： Shengjie li Jianxin Zhu Research Center for Eco-Environmental Sciences Chinese Academy of SciencesBeijing 100085China University of Chinese Academy of Sciences Beijing 100049China

The high content of aluminum(Al)impurity in the recycled cathode powder seriously affects the extraction efficiency of Nickel,Cobalt,Manganese,and lithium resources and the actual commercial value of recycled materials,so Al removal is crucially important to conform to the industrial standard of spent li-ion battery cathode *** this work,we systematically investigated the leaching process and optimum conditions associated with Al removal from the cathode powder materials collected in a wet cathode-powder peeling and recycling production line of spent li-ion batteries(liBs).Moreover,we specifically studied the leaching of fluorine(F)synergistically happened along with the removal process of Al,which was not concerned about in other studies,but one of the key factors affecting pollution prevention in the recovery *** mechanism of the whole process including the leaching of Al and F from the cathode powder was indicated by using NMR,FTIR,and XPS,and a defluoridation process was preliminarily investigated in this *** leaching kinetics of Al could be successfully described by the shrinking core model,controlled by the diffusion process and the activation energy was 11.14 kJ/***,the leaching of F was attributed to the dissolution of liPF6and decomposition of PVDF,and the kinetics associated was described by Avrami *** interaction of Al and F is advantageous to realize the defluoridation to some *** is expected that our investigation will provide theoretical support for the large-scale recycling of spent liBs.

关键词： Al removal F leaching Cathode powder Heating alkali leaching Leaching kinetics

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Additives strategies to improving cycling stability of li metal batteries by modifying electrode electrolyte interphases

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Progress in Natural Science:Materials International 2024年第2期34卷 338-344页

作者： Yuan li Pengfei Huang Chunyu Cui Xiaoyuan Ma li Chen Zekun li linhai li Yuhong Tian School of Biological and Chemical Engineering Guangxi University of Science and Technology School of College of Chemistry and Chemical Engineering Hunan University Isky Future Energy Institute

li metal batteries（LMBs） have attracted much attention due to the ultra-high theoretical capacity of the li metal anode（LMA）.however,the uncontrollable dendrites growth and low coulombic efficiency hinder their practical ***,we explore 3,5-difluoropyridine（2F-BD） as a novel electrolyte additive to enable highperformance *** 2F-BD additive participates in and modifies the solvation structure of li ions by reducing the coordinated number of PF6-at the electrode surface,leading to the formation of a liF and li3N-rich solid electrolyte interphase（SEI）.The liF component increases the robustness of SEI and suppresses the formation of li dendrites,while the li3N component facilitates the transportation and reaction kinetics of li *** a result,the li‖li symmetric cell presents a stable cycling performance of up to 500 h at a current density of 1 mA *** coupling with liFePO4cathode,the obtained full cell achieves high specific capacities of 106.06 mA h g-1and 84.98 mA h g-1at 2.55 mA cm-2and 5.10 mA cm-2,respectively,and maintains a high capacity retention of84.0% after 1000 cycles at 0.13 mA cm-2,with an average cycling CE of 99.58%.

关键词： Electrolyte additive li dendrites li metal batteries liF and li3N-Rich electrode-electrolyte interphase liFePO4 cathode

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Oxygen heterocyclic compounds(OHCs) in lemon oils are important markers in targeted HPLC analyses for authentication

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Food Science and Human Wellness 2024年

作者： Siyu liu Shiming li Chi-Tang ho Department of Food Science Rutgers University New Brunswick College of Biology and Agricultural Resources Huanggang Normal University

Lemon oils are broadly used as flavoring agents in beverages， foods， cosmetics and pharmaceuticals， yet the adulteration of natural， particularly cold pressed lemon oils is very common in the industry due to its unmet demand and high cost. Nowadays， most quality control (QC) analysis of lemon oils is conducted by gas chromatography (GC) analysis， which is far from a reliable method. Oxygen heterocyclic compounds (OHCs) in non-volatile fraction are gaining increasing attention in authentication process because of the nearly finger-printing profiles of OHCs in cold pressed citrus essential oils. Our goal in this study was to identify OHCs using high performance liquid chromatography (HPLC) in lemon oils， establish OHC profiles， perform stepwise logistic regression analysis (SLRA) and build effective predicting model and further determine adulterated lemon oils by referencing the OHC profiles and established models. After HPLC analyses， profiling and SLRA modeling of 154 OHCs samples of industrial lemon oils， we found that the combination of isopimpinellin and total OHC concentration are essential and robust predictors to differentiate authentic samples from adulterated lemon oils with a success rate of 98% from the 5-fold cross validation. This study provided a reliable and efficient method in determining the authenticity of lemon oils.

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Enhancing photodynamic inactivation via tunning spatial constraint on photosensitizer

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Science China Chemistry 2024年第2期67卷 652-663页

作者： Chong li Minghao Han Ji Gao Shuxian Wang Song-Bo Lu Yaxi li Zhao liu Chen Zhang Zhaojin Wang Fangliang Wang Yuang Sun Chun Loong ho Kai Wang Yun Shen Kai li Shenzhen Key Laboratory of Smart Healthcare Engineering Guangdong Provincial Key Laboratory of Advanced BiomaterialsDepartment of Biomedical EngineeringSouthern University of Science and TechnologyShenzhen518055China Department of Chemical and Environmental Engineering University of California RiversideRiverside92521USA Department of Electrical and Electronic Engineering Southern University of Science and TechnologyShenzhen518055China

The critical factor of spatial constraint,provided by the external confinement(e.g.,matrix),is often overlooked during photodynamic inactivation,despite playing a crucial role in determining the molecular photophysical process and subsequent antipathogen ***,as a proof-of-concept model,we employed two types of polymers with varying interaction energies with dopants to investigate the intrinsic relationship between spatial constraint and the essential excited-state behaviors of doped photosensitizer(4-(2-(5-(4-(diphenylamino)phenyl)thiophen-2-yl)ethyl)-1-methylquinolin-1-ium iodine,TPP).Through experimental investigation and theoretical calculations,we found that TPP tends to remain in the excited state for a shorter dwell time under weaker spatial constraints due to less restricted molecular motion in polyurethane(PU) ***,the singlet oxygen(^(1)O_(2)) generated from doped-TPP shows a 9.23-fold enhancement in PU than in the polyvinylchloride(PVC) *** light irradiation,the PU@TPP nanofiber can efficiently eliminate the coronavirus MHV-A59(≥99.9997%) at a 220,000-fold higher concentration than the infected *** antibacterial efficacy has also been demonstrated,with a killing rate of ≥99%.

关键词： photodynamic antibacterial singlet oxygen triphenylamine nanofiber

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