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A DFT study on Pt single atom loaded COF for efficient photocatalytic CO_(2)reduction

Journal of Materials Science & Technology 2024年第3期170卷 87-94页

作者： fei xie Chuanbiao Bie Jian Sun Zhenyi Zhang Bicheng Zhu Laboratory of Solar Fuel Faculty of Materials Science and ChemistryChina University of GeosciencesWuhan430078China Key Laboratory of New Energy and Rare Earth Resource Utilization of State Ethnic Affairs Commission Key Laboratory of Photosensitive Materials and Devices of Liaoning ProvinceSchool of Physics and Materials EngineeringDalian Minzu UniversityDalian116600China

Photocatalytic CO_(2)reduction provides a promising strategy for the alleviation of greenhouse effect and energy shortage problem.Metal single atom modification is an effective method to improve the CO_(2)reduction performance of covalent organic framework(COF)photocatalysts,while the intrinsic mechanism is not revealed in depth.Herein,a Pt-COF photocatalytic system was constructed by embedding Pt single atom in TFPT-TMT-COF(TFPT:1,3,5-tris(4-formylphenyl)-triazine,TMT:2,4,6-trimethyl-1,3,5-triazine).Based on density functional theory(DFT)calculation,the geometric structure and electronic property of Pt-COF were investigated,and the CO_(2)adsorption and reduction reaction process on Pt-COF were simulated.The results show that the Pt atom can be steadily anchored in COF via the formation of Pt-N and Pt-C bonds.Moreover,there is strong electronic interaction between Pt and COF.The incorporation of Pt atom benefits the CO_(2)reduction activity of COF from multiple aspects:(ⅰ)reducing the band gap and improving light absorption;(ⅱ)enhancing CO_(2)adsorption and activating the CO_(2)molecule;(ⅲ)decreasing the energy barrier in the hydrogenation step of CO_(2)→COOH,thus facilitating CO_(2)conversion to CO;(ⅳ)inhibiting the hydrogenation of CO,thereby increasing the selectivity of CO.This work brings a novel insight into the excellent CO_(2)reduction performance of Pt modified COF,and provides useful references for the design of single atom photocatalysts.

关键词： Photocatalysis Carbon dioxide reduction Covalent organic framework Pt single atom Theoretical calculation

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Water-soluble brown carbon in atmospheric aerosols from the resource-dependent cities:Optical properties,chemical compositions and sources

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Journal of Environmental Sciences 2024年第4期138卷 74-87页

作者： Haoji Wang Yue Su Yangzheng Liu fei xie Xingjun Zhou Ruihong Yu Changwei Lü Jiang He School of Ecology and Environment Inner Mongolia UniversityHohhot 010021China Institute of Environmental Geology Inner Mongolia UniversityHohhot 010021China Environmental Monitoring Center of Inner Mongolia Hohhot 010011China

As a vital type of light-absorbing aerosol,brown carbon(BrC)presents inherent associations with atmospheric photochemistry and climate change.However,the understanding of the chemical and optical properties of BrC is limited,especially in some resource-dependent cities with long heating periods in northwest China.This study showed that the annual average abundances of Water-soluble BrC(WS-BrC)were 9.33±7.42 and 8.69±6.29μg/m^(3)in Baotou and Wuhai and the concentrations,absorption coefficient(Abs_(365)),and mass absorption efficiency(MAE365)of WS-BrC presented significant seasonal patterns,with high values in the heating season and low values in the non-heating season;while showing opposite seasonal trends for the Absorption Angstr?m exponent(AAE_(300-400)).Comparatively,the levels of WS-BrC in developing regions(such as cities in Asia)were higher than those in developed regions(such as cities in Europe and Australia),indicating the significant differences in energy consumption in these regions.By combining fluorescence excitation-emission matrix(EEM)spectra with the parallel factor(PARAFAC)model,humic-like(C1 and C2)and proteinlike(C3)substances were identified,and accounted for 61.40%±4.66%and 38.6%±3.78%at Baotou,and 60.33%±6.29%and 39.67%±4.17%at Wuhai,respectively.The results of source apportionment suggested that the potential source regions of WS-BrC varied in heating vs.non-heating seasons and that the properties of WS-BrC significantly depended on primary emissions(e.g.,combustion emissions)and secondary formation.

关键词： Water-soluble brown carbon Atmospheric aerosols Optical properties PARAFAC Source apportionment

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Real-time pore structure evolution difference between deep and shallow coal during gas adsorption:A study based on synchrotron radiation small-angle X-ray scattering

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Particuology 2024年第4期87卷 114-123页

作者： Yingfeng Sun Shuaipeng Zhu fei xie Chujian Han Yixin Zhao Zetian Zhang Research Institute of Macro-Safety Science University of Science and Technology BeijingBeijing100083China Schoolof Civiland Resource Engineering University of Science and Technology BeijingBeijing100083China National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei230029China Beijing Key Laboratory for Precise Mining of Intergrown Energy and Resources China University of Mining and Technology(Beijing)Bejing10003 China School of Energy and Mining Engineering China University of Mining and Technology(Beijing)Beijing100083China Key Laboratory of Deep Earth Science and Engineering(Sichuan University) Ministry of EducationChengdu610065China

Coal seam CO_(2) sequestration is an important option to address global warming.A better knowledge on coal pore structure evolution during gas adsorption can provide guidance for coal seams CO_(2) seques-tration.However,few investigations on the pore structure evolution differences between the deep and shallow coal were conducted during gas adsorption.In this study,based on the real-time synchrotron radiation small-angle X-ray scattering(SAXS)observation,the average pore diameter and pore surface fractal dimension evolution differences between deep and shallow coal were investigated from the as-pects of coal compositions and stress history.Two types of coal deformation(inner-swelling and outer-swelling)coexist during gas adsorption.Coal compositions have significant impact on the dominance of deformation type.The dominance of inner-swelling in deep coal is induced by the higher ash contents,and there is the decrease of average pore diameter during gas adsorption.The impact of stress-history(burial depth)on adsorption-induced deformation is more prominent than that of gas adsorption ca-pacity.In deep coal,the surface fractal dimension evolution presents a negative correlation with the evolution of pore diameters.In shallow coal,the surface fractal dimension evolution presents a Langmuir-type correlation with the adsorption time.

关键词： Coal Gas adsorption Synchrotron radiation small-angle X-ray scattering Pore diameter Surface fractal dimension

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Stress corrosion cracking behavior of buried oil and gas pipeline steel under the coexistence of magnetic field and sulfate-reducing bacteria

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Petroleum Science 2024年第2期21卷 1320-1332页

作者： Jian-Yu He fei xie Dan Wang Guang-Xin Liu Ming Wu Yue Qin College of Petroleum Engineering Liaoning Petrochemical UniversityFushun113001LiaoningChina Key Laboratory of Oil and Gas Storage and Transportation Technology in Liaoning Province Fushun113001LiaoningChina State Key Joint Laboratory of Environment Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing100084China PipeChina West East Gas Pipeline Company Shanghai200120China

Magnetic field and microorganisms are important factors influencing the stress corrosion cracking(SCC)of buried oil and gas pipelines. Once SCC occurs in buried pipelines, it will cause serious hazards to the soil environment. The SCC behavior of X80 pipeline steel under the magnetic field and sulfate-reducing bacteria(SRB) environment was investigated by immersion tests, electrochemical tests, and slow strain rate tensile(SSRT) tests. The results showed that the corrosion and SCC sensitivity of X80 steel decreased with increasing the magnetic field strength in the sterile environment. The SCC sensitivity was higher in the biotic environment inoculated with SRB, but it also decreased with increasing magnetic field strength, which was due to the magnetic field reduces microbial activity and promotes the formation of dense film layer. This work provided theoretical guidance on the prevention of SCC in pipeline steel under magnetic field and SRB coexistence.

关键词： Magnetic field Sulfate-reducing bacteria Film layer Stress corrosion cracking Oil and gas pipelines

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Colorectal cancer’s burden attributable to a diet high in processed meat in the Belt and Road Initiative countries

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World Journal of Gastrointestinal Oncology 2024年第1期16卷 182-196页

作者： Gu Liu Chang-Min Li fei xie Qi-Lai Li Liang-Yan Liao Wen-Jun Jiang Xiao-Pan Li Guan-Ming Lu Department of Gastrointestinal Surgery The First Affiliated HospitalJinan UniversityGuangzhou 510630Guangdong ProvinceChina Department of Gastrointestinal Surgery Chenzhou Third People’s HospitalChenzhou 423000Hunan ProvinceChina Department of Gastrointestinal Surgery Chenzhou First People’s Hospital and the First Affiliated Hospital of Xiangnan UniversityChenzhou423000 Hunan ProvinceChina Department of Breast and Thyroid Surgery the Affiliated Hospital of Youjiang Medical University for NationalitiesBaise 533000Guangxi Zhuang Autonomous RegionChina Department of Health Management Center Zhongshan HospitalShanghai Medical College of Fudan UniversityShanghai 200032China

BACKGROUND Colorectal cancer(CRC)plays a significant role in morbidity,mortality,and economic cost in the Belt and Road Initiative(“B and R”)countries.In addition,these countries have a substantial consumption of processed meat.However,the burden and trend of CRC in relation to the consumption of a diet high in processed meat(DHPM-CRC)in these“B and R”countries remain unknown.AIM To analyze the burden and trend of DHPM-CRC in the“B and R”countries from 1990 to 2019.METHODS We used the 2019 Global Burden of Disease Study to collate information regarding the burden of DHPM-CRC.Numbers and age-standardized rates(ASRs)of deaths along with the disability-adjusted life years(DALYs)were determined among the“B and R”countries in 1990 and 2019.Using joinpoint regression analysis,the average annual percent change(AAPC)was used to analyze the temporal trends of age-standardized DALYs rate(ASDALR)from 1990 to 2019 and in the final decade(2010–2019).RESULTS We found geographical differences in the burden of DHPM-CRC among“B and R”countries,with the three highest-ranking countries being the Russian Federation,China,and Ukraine in 1990,and China,the Russian Federation,and Poland in 2019.The burden of DHPM-CRC generally increased in most member countries from 1990 to 2019(all P<0.05).The absolute number of deaths and DALYs in DHPM-CRC were 3151.15[95%uncertainty interval(UI)665.74-5696.64]and 83249.31(95%UI 15628.64-151956.31)in China in 2019.However,the number of deaths(2627.57-2528.51)and DALYs(65867.39-55378.65)for DHPM-CRC in the Russian Federation has declined.The fastest increase in ASDALR for DHPM-CRC was observed in Vietnam,Southeast Asia,with an AAPC value of 3.90%[95%confidence interval(CI):3.63%-4.16%],whereas the fastest decline was observed in Kyrgyzstan,Central Asia,with an AAPC value of-2.05%(95%CI:-2.37%to-1.73%).A substantial upward trend in ASR of mortality,years lived with disability,years of life lost,and DALYs from DHPM-CRC changes in 1990-2019 and the final decade(2010-2019)for most Maritime Silk Route memb

关键词： Belt and Road Initiative countries Colorectal cancer Burden of disease Dietary risk factors Processed meat Disability-adjusted life years Trend analysis

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Rise in Stratospheric Water Vapor over the Past Two Decades: An Association with Tropical Atlantic Sea Surface Temperature

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Journal of Earth Science 2024年

作者： Yingli NIU fei xie Yan XIA Na LIU Yuanyuan HAN Faculty of Geographical Science/School of Systems Science Beijing Normal University Key Laboratory of Textile Chemical Engineering Auxiliaries School of Environmental and Chemical Engineering Xi'an Polytechnic University

Variations in stratospheric water vapor (SWV) impact not only dynamic and chemical stratospheric processes but also the rate of global warming by influencing the Earth’s energy budget. Multiple observations have indicated a significant increasing trend in SWV since 2005. Here， using both observations and idealized sensitivity experiments with a numerical model， we find that the warming in the tropical Atlantic is the main contributor to the increasing SWV trend since 2005. The warming of both the tropical Indian and Atlantic oceans elicits a Gill-Matsuno responses， and the tropopause warming caused by Atlantic warming is located over the Indo-Pacific warm pool， which tends to efficiently increase the SWV after 2005. The North Pacific warming， which weakens the Hadley cell， results in a reduction in the tropical tropopause height and consequential tropopause warming， especially over the warm pool， which also contributes to the SWV increase.

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Gas microchannel plate-pixel detector for X-ray polarimetry

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Nuclear Science and Techniques 2024年第5期35卷 60-73页

作者： Huan-Bo Feng Hong-Bang Liu Dong Wang Zi-Li Li Shu-Lin Liu Qian Liu Hang-Zhou Li Bin-Long Wang Yan-Jun xie Zong-Wang Fan Hui Wang Ran Chen Di-Fan Yi Rui-Ting Ma fei xie Bo Peng Xiang-Ming Sun Jin Li En-Wei Liang Present Address:Guangxi Key Laboratory for Relativistic Astrophysics School of Physical Science and TechnologyGuangxi UniversityNanning 530004China PLAC Key Laboratory of Quark and Lepton Physics(MOE)Central China Normal UniversityWuhan 430079China School of Science Huzhou UniversityHuzhou 313000China Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China School of Nuclear Science and Technology University of Chinese Academy of SciencesBeijing 100049China School of Physical Science University of Chinese Academy of SciencesBeijing 100049China The 13th Research Institute of China Electronics Technology Group Corporation Shijiazhuang 050057China

POLAR-2 is a gamma-ray burst(GRB)polarimeter that is designed to study the polarization in GRB radiation emissions,aiming to improve our knowledge of related mechanisms.POLAR-2 is expected to utilize an on-board polarimeter that is sensitive to soft X-rays(2-10 keV),called low-energy polarization detector.We have developed a new soft X-ray polari-zation detector prototype based on gas microchannel plates(GMCPs)and pixel chips(Topmetal).The GMCPs have bulk resistance,which prevents charging-up effects and ensures gain stability during operation.The detector is composed of low outgassing materials and is gas-sealed using a laser welding technique,ensuring long-term stability.A modulation factor of 41.28%±0.64% is obtained for a 4.5 keV polarized X-ray beam.A residual modulation of 1.96%±0.58% at 5.9 keV is observed for the entire sensitive area.

关键词： X-ray polarimetry Gas microchannel plate-pixel detector Gamma-ray bursts

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Prospects in the application of ultrasensitive chromosomal aneuploidy detection in precancerous lesions of gastric cancer

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World Journal of Gastrointestinal Surgery 2024年第1期16卷 6-12页

作者： Su-Ting Qian fei-fei xie Hao-Yu Zhao Qing-Sheng Liu Dan-Li Cai Department of Digestive Hangzhou Hospital of Traditional Chinese MedicineHangzhou 310007Zhejiang ProvinceChina Science and Education Section Hangzhou Hospital of Traditional Chinese MedicineHangzhou 310007Zhejiang ProvinceChina Intensive Care Unit The First Affiliated Hospital of Zhejiang Chinese Medical UniversityHangzhou 311122Zhejiang ProvinceChina

Gastric cancer(GC)is a prevalent malignant tumor within the digestive system,with over 40%of new cases and deaths related to GC globally occurring in China.Despite advancements in treatment modalities,such as surgery supplemented by adjuvant radiotherapy or chemotherapeutic agents,the prognosis for GC remains poor.New targeted therapies and immunotherapies are currently under invest-igation,but no significant breakthroughs have been achieved.Studies have indicated that GC is a heterogeneous disease,encompassing multiple subtypes with distinct biological characteristics and roles.Consequently,personalized treatment based on clinical features,pathologic typing,and molecular typing is crucial for the diagnosis and management of precancerous lesions of gastric cancer(PLGC).Current research has categorized GC into four subtypes:Epstein-Barr virus-positive,microsatellite instability,genome stability,and chromosome instability(CIN).Technologies such as multi-omics analysis and gene sequencing are being employed to identify more suitable novel testing methods in these areas.Among these,ultrasensitive chromosomal aneuploidy detection(UCAD)can detect CIN at a genome-wide level in subjects using low-depth whole genome sequencing technology,in conjunction with bioinformatics analysis,to achieve qualitative and quantitative detection of chromosomal stability.This editorial reviews recent research advancements in UCAD technology for the diagnosis and management of PLGC.

关键词： Gastric cancer Precancerous lesions of gastric cancer Molecular typing Ultrasensitive chromosomal aneuploidy detection Adjuvant therapy Application prospects

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Solidification behaviour and hot cracking susceptibility of a novel Ni-based superalloy

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Journal of Iron and Steel Research(International) 2024年第4期31卷 956-966页

作者： Yue Chen Shao-min Lv Xing-fei xie Xiao-can Wen Jng-long Qu Jin-hui Du High-Temperature Materials Institute China Iron and Steel Research Institute Group Co.Ltd.Beijing 100081China Beijing GAONA Materials and Technology Co. Ltd.Beijing 100081China Sichuan CISRI-GAONA Forging Co. Ltd.Deyang 610000SichuanChina

A novel Ni-based superalloy GH4151,with a γ′ volume fraction of about 55%and a service temperature capability up to 8oo oC,was investigated.Due to the different cooling conditions of various regions during the solidification of ingots,significant cooling rate variations may lead to the occurrence of hot cracking.Conventional scanning laser microscope was utilised to investigate the solidification process and phase precipitation behaviour of the GH4151 under wide range cooling rates.The characteristics of L→γ transformation were analysed,and the growth rates of at each stage were calculated.The segregation behaviour was predicted using the Scheil equation,and the predicted results match well with the experimental results.The sensitivity coefficient for hot cracking was modified,and cracking sensitivity coefficient values for the alloy under different cooling rates were computed,revealing that the alloy is most susceptible to hot cracking at 10℃/min cooling rate.Therefore,controlling the cooling rate can reduce the possibility of hot cracking in ingot.

关键词： Ni-based superalloy Solidification behaviour In-situ observation Clyne and Davies's criterion:Hot cracking susceptibility

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Increasing Surface UV Radiation in the Tropics and Northern Mid-Latitudes due to Ozone Depletion after 2010

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Advances in Atmospheric Sciences 2023年第10期40卷 1833-1843页

作者： fei xie Yan XIA Wuhu FENG Yingli NIU School of Systems Science and College of Global Change and Earth System Science Beijing Normal UniversityBeijing 100875China National Centre for Atmospheric Science University of LeedsLeeds LS29PHUK Istitute for Climate and Atmospheric Science School of Earth and EnvironmentUniversity of LeedsLeeds LS29JTUK

Excessive exposure to ultraviolet(UV)radiation harms humans and ecosystems.The level of surface UV radiation had increased due to declines in stratospheric ozone in the late 1970s in response to emissions of chlorofluorocarbons.Following the implementation of the Montreal Protocol,the stratospheric loading of chlorine/bromine peaked in the late 1990s and then decreased;subsequently,stratospheric ozone and surface UV radiation would be expected to recover and decrease,respectively.Here,we show,based on multiple data sources,that the May–September surface UV radiation in the tropics and Northern Hemisphere mid-latitudes has undergone a statistically significant increasing trend[about 60.0 J m^(–2)(10 yr)^(–1)]at the 2σlevel for the period 2010–20,due to the onset of total column ozone(TCO)depletion[about−3.5 DU(10 yr)^(–1)].Further analysis shows that the declines in stratospheric ozone after 2010 could be related to an increase in stratospheric nitrogen oxides due to increasing emissions of the source gas nitrous oxide(N_(2)O).

关键词： surface UV radiation stratospheric ozone stratospheric chemistry N_(2)O

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