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| 1 | Chinese Stroke Association guidelines for clinical management of cerebrovascular disorders:executive summary and 2019 update of clinical management of stroke rehabilitation显示文摘Stroke is the third leading cause of long-term disability.Effective stroke rehabilitation should be provided to patients with a moderate or severe stroke so as to achieve functional recovery.Also,stroke rehabilitation is moving towards more intense therapy models that incorporate technologies such as robotics and computer games.Evidence-based guidelines are useful for promoting the best possible clinical practices.This guideline summarises the modes of stroke rehabilitation in China-three-stage rehabilitation network,rehabilitation of stroke dysfunction,training for activities of daily living,stroke complications and rehabilitation care.The aim of this guideline was to provide a synopsis of best clinical practices in the stroke rehabilitation of adult patients in China. | Tong Zhang Jun Zhao Xueping Li Yulong Bai Baojun Wang Yun Qu Bingjie Li Shengjie Zhao Chinese Stroke Association Stroke Council Guideline Writing Committee | 2020 | Stroke & Vascular Neurology2020，5，3： | 38 |
| 2 | Surfactant induced reservoir wettability alteration:Recent theoretical and experimental advances in enhanced oil recovery显示文摘Reservoir wettability plays an important role in various oil recovery processes.The origin and evolution of reservoir wettability were critically reviewed to better understand the complexity of wettability due to interactions in crude oil-brine-rock system,with introduction of different wetting states and their influence on fluid distribution in pore spaces.The effect of wettability on oil recovery of waterflooding was then summarized from past and recent research to emphasize the importance of wettability in oil displacement by brine.The mechanism of wettability alteration by different surfactants in both carbonate and sandstone reservoirs was analyzed,concerning their distinct surface chemistry,and different interaction patterns of surfactants with components on rock surface.Other concerns such as the combined effect of wettability alteration and interfacial tension (IFT) reduction on the imbibition process was also taken into account.Generally,surfactant induced wettability alteration for enhanced oil recovery is still in the stage of laboratory investigation.The successful application of this technique relies on a comprehensive survey of target reservoir conditions,and could be expected especially in low permeability fractured reservoirs and forced imbibition process. | Wang Yefei XU Huaimin Yu Weizhao Bai Baojun Song Xinwang Zhang Jichao | 2011 | Petroleum Science2011，8，4： | 14 |
| 3 | Multi-scale object detection by top-down and bottom-up feature pyramid network显示文摘While moving ahead with the object detection technology, especially deep neural networks, many related tasks, such as medical application and industrial automation, have achieved great success. However, the detection of objects with multiple aspect ratios and scales is still a key problem. This paper proposes a top-down and bottom-up feature pyramid network(TDBU-FPN),which combines multi-scale feature representation and anchor generation at multiple aspect ratios. First, in order to build the multi-scale feature map, this paper puts a number of fully convolutional layers after the backbone. Second, to link neighboring feature maps, top-down and bottom-up flows are adopted to introduce context information via top-down flow and supplement suboriginal information via bottom-up flow. The top-down flow refers to the deconvolution procedure, and the bottom-up flow refers to the pooling procedure. Third, the problem of adapting different object aspect ratios is tackled via many anchor shapes with different aspect ratios on each multi-scale feature map. The proposed method is evaluated on the pattern analysis, statistical modeling and computational learning visual object classes(PASCAL VOC)dataset and reaches an accuracy of 79%, which exhibits a 1.8% improvement with a detection speed of 23 fps. | ZHAO Baojun ZHAO Boya TANG Linbo WANG Wenzheng WU Chen | 2019 | Journal of Systems Engineering and Electronics2019，30，1： | 11 |
| 4 | Preliminary investigation on the role of microorganisms in the production of phosphine显示文摘The relationships between the phosphine content and various microbial populations,activities of different enzymes were investigated firstly.The results indicated that the phosphine content of samples from various environments was positively related to total anaerobic microorganisms,organic phosphate compound-dissolving bacteria,denitrifying bacteria,and the activities of alkaline phosphatase and dehydrogenase,with correlation coefficients (R^2) up to 0.93,0.90,0.69,0.79,and 0.82,respectively.Results also... | LIU Zhipei JIA Shengfen WANG Baojun | 2008 | Journal of Environmental Sciences2008，20，7： | 10 |
| 5 | Interface electron collaborative migration of Co–Co3O4/carbon dots:Boosting the hydrolytic dehydrogenation of ammonia borane显示文摘Ammonia borane(AB)is an excellent candidate for the chemical storage of hydrogen.However,its practical utilization for hydrogen production is hindered by the need for expensive noble-metal-based catalysts.Herein,we report Co-Co3O4 nanoparticles(NPs)facilely deposited on carbon dots(CDs)as a highly efficient,robust,and noble-metal-free catalyst for the hydrolysis of AB.The incorporation of the multiinterfaces between Co,Co3O4 NPs,and CDs endows this hybrid material with excellent catalytic activity(rB=6816 mLH2 min^-1 gCo^-1)exceeding that of previous non-noble-metal NP systems and even that of some noble-metal NP systems.A further mechanistic study suggests that these interfacial interactions can affect the electronic structures of interfacial atoms and provide abundant adsorption sites for AB and water molecules,resulting in a low energy barrier for the activation of reactive molecules and thus substantial improvement of the catalytic rate. | Han Wu Min Wu Boyang Wang Xue Yong Yushan Liu Baojun Li Baozhong Liu Siyu Lu | 2020 | Journal of Energy Chemistry2020，29，9： | 7 |
| 6 | Mesoscale simulation of discontinuous dynamic recrystallization using the cellular automaton method显示文摘A dynamic recrystallization (DRX) cellular automaton (CA) model that can mark the microstructure with DRX circle was developed. The effects of initial grain size on the stress-strain curve, mean grain size and DRX fraction were mainly investigated, and the simulated results were compared with those obtained from previous researches. The results show that the shape of the stress-strain curve is sensitive, while the stress and mean grain size at the steady state are insensitive to the initial grain size. The transition from a multiple-peak stress-strain curve to a single-peak one can be explained by variations in DRX circle fraction, and the initial grain size to make this transition is between 70 and 80 μm. | Baojun YU Xiaojun GUAN Lijun WANG Qingkai ZENG Qianqian LIU Yu CAO | 2011 | Acta Metallurgica Sinica(English Letters)2011，24，4： | 6 |
| 7 | Maffucci syndrome with unilateral limb: a case report and review of the literature显示文摘Maffucci syndrome is a congenital, non-hereditary mesodermal dysplasia manifested by multiple enchondromas and hemangiomas. It is associated with diverse secondary musculoskeletal deformities, which is exceedingly rare. We report a case of hemangiomas and enchondromas localized in the unilateral limb in a patient with Maffucci syndrome. Treatment consists of orthopedic and surgical intervention to minimize deformities and for cosmetic purpose. Careful surveillance for malignant degeneration of both skeletal and non-skeletal tumors, especially in the brain and abdomen, is essential. | Hua Gao Baojun Wang Xi Zhang Fengqi Liu Ying Lu | 2013 | Chinese Journal of Cancer Research2013，25，2： | 6 |
| 8 | Analysis of the ore-controlling structure of the Shihu gold deposit, Hebei Province and deep-seated ore-prospecting prediction显示文摘Under the guidance of the theory of mantle-branch structure-associated metallogenesis and on the basis of the geological characteristics, analysis of the ore-forming and ore-controlling structures, the geochemical characteristics of metallogenesis, the source of ore-forming materials, changes in the physical and chemical conditions of metallogenesis, changes in the vertical width of ore veins, and changes in gold grade of the Shihu gold deposit, the mechanism of its metallogenesis was discussed and the rules of vertical variation of ore veins were summarized in this study. It is pointed out that the orebodies under exploitation at present time should be in the middle and upper portions of gold veins in the Shihu gold mining district. Particularly on the basis of the characteristics of mantle-branch structure-associated metallogenesis, it is indicated that metallogenesis is controlled mainly by such ore-forming conditions as temperature and pressure. Deep-seated ore-forming fluids are characterized mainly by injection and precipitation. So the vein bodies in the adjacent metallogenic structures are of obvious comparability, and there would be great prospects for ore search both at depth and in the periphery of the Shihu gold deposit. Therefore, ore prospecting should be strengthened both at depth and in the peripheries. | NIU Shuyin WANG Baode SUN Aiqun CHEN Chao WANG Zili MA Baojun WANG Wenxue JIANG Xiaoping ZHAO Yongli GAO Yincang LIU Huabin QIU Jianping | 2009 | Chinese Journal Of Geochemistry2009，28，4： | 6 |
| 9 | Deep-water Riser Fatigue Monitoring Systems Based on Acoustic Telemetry显示文摘Marine risers play a key role in the deep and ultra-deep water oil and gas production. The vortex-induced vibration(VIV) of marine risers constitutes an important problem in deep water oil exploration and production. VIV will result in high rates of structural failure of marine riser due to fatigue damage accumulation and diminishes the riser fatigue life. In-service monitoring or full scale testing is essential to improve our understanding of VIV response and enhance our ability to predict fatigue damage. One marine riser fatigue acoustic telemetry scheme is proposed and an engineering prototype machine has been developed to monitor deep and ultra-deep water risers' fatigue and failure that can diminish the riser fatigue life and lead to economic losses and eco-catastrophe. Many breakthroughs and innovation have been achieved in the process of developing an engineering prototype machine. Sea trials were done on the 6th generation deep-water drilling platform HYSY-981 in the South China Sea. The inclination monitoring results show that the marine riser fatigue acoustic telemetry scheme is feasible and reliable and the engineering prototype machine meets the design criterion and can match the requirements of deep and ultra-deep water riser fatigue monitoring. The rich experience and field data gained in the sea trial which provide much technical support for optimization in the engineering prototype machine in the future. | LI Baojun WANG Haiyan SHEN Xiaohong YAN Yongsheng YANG Fuzhou HUA Fei | 2014 | Journal of Ocean University of China2014，13，6： | 5 |
| 10 | Post-surgical resection prognostic value of combined OPN, MMP7, and PSG9 plasma biomarkers in hepatocellular carcinoma显示文摘Biomarkers for hepatocellular carcinoma (HCC) following curative resection are not currently sufficient for prognostic indication of overall survival (OS) and disease-free survival (DFS). The aim of this study was to investigate the prognostic performance of osteopontin (OPN), matrix metalloproteinase 7 (MMP7), and pregnancy specific glycoprotein 9 (PSG9) in patients with HCC. A total of 179 prospective patients with HCC provided plasma before hepatectomy. Plasma OPN, MMP7, and PSG9 levels were determined by enzyme-linked immunosorbent assay. Correlations between plasma levels, clinical parameters, and outcomes (OS and DFS) were overall analyzed. High OPN (≥149.97 ng/mL), MMP7 (≥2.28 ng/mL), and PSG9 (≥45.59 ng/mL) were prognostic indicators of reduced OS (P<0.001, P<0.001, and P=0.007, respectively). Plasma PSG9 protein level was an independent factor in predicting OS (P=0.008) and DFS (P=0.038). Plasma OPN+MMP7+PSG9 elevation in combination was a prognostic factor for OS (P<0.001). OPN was demonstrated to be a risk factor-associated OS in stage I patients with HCC and patients with low α-fetoprotein levels (<20 ng/mL). These findings suggested that OPN, MMP7, PSG9 and their combined panels may be useful for aiding in tumor recurrence and mortality risk prediction of patients with HCC, particularly in the early stage of HCC carcinogenesis. | Weiqi Rong Yang Zhang Lei Yang Lin Feng Baojun Wei Fan Wu Liming Wang Yanning Gao Shujun Cheng Jianxiong Wu Ting Xiao | 2019 | Frontiers of Medicine2019，13，2： | 5 |
| 11 | Study on the Metallogenetism of Sub-mantle Plume and Mantle Branches in the Gold Mineralization Concentration Area of Northwest Jiaodong Peninsula显示文摘The northwest of Jiaodong peninsula is characterized by its greatest gold concentration area, enormous gold reserves and limited time interval(115±5Ma) of gold mineralization in China. Studies show that the east area of north China began its mantle plume evolution since the Yanshanian movement, and the Laiyang sub-mantle plume and its surrounding mantle branches such as those in Guojiadian, Aishan and Panshidian were formed in the mineralization concentration area of northwestern Jiaodong peninsula. With the development of mantle plume → sub-mantle plume → mantle branch → favorable expending structures, the deep-derived hydrothermal fluid moved up to the favorable places, such as brittle-ductile or ductile-brittle shearing zones, the internal and external contact zones of intrusions, dense fracturing zones and the contact zones between dikes and countryrocks, and concentrated into deposits. Then the gold mineralization concentration zones that are centralized on mantle branches were formed. This study takes Guojiadian mantle branch as an example to discuss their metallogenetism and conclude the metallogenetic mode. | NIU Shuyin CHENG Guangsuo ZHANG Jianzhen SUN Aiqun MA Baojun ZHANG Fuxiang WANG Baode XU Meng WU Jichun ZHAO Rongxin WANG Shanfei | 2014 | Acta Geologica Sinica(English Edition)2014，88，5： | 4 |
| 12 | Factors Controlling Hydrocarbon Accumulation in Jurassic Reservoirs in the Southwest Ordos Basin, NW China显示文摘The sedimentary, paleogeomorphological and reservoir characteristics of the Jurassic Yan’an Formation in the southwestern Ordos Basin, northwestern China, were studied by means of casting thin sections, scanning electron microscopy, inclusion analysis and identification of low-amplitude structures. A model for reservoir formation is established, and the controlling effects of sedimentary facies, paleotopography, low-amplitude structures and formation water on oil reservoirs are revealed. There are significant differences in the sedimentary characteristics, structural morphology and paleowater characteristics between the reservoirs above the Yan 10 Member and those in the Yan 9 to Yan 7 Members. The Yan 10 Member contains fluvial sediments, whereas the Yan 9 to Yan 7 members contain delta-plain anastomosing-river deposits. The distribution of high-permeability reservoir is controlled by pre-Jurassic paleogeomorphology and sedimentary facies. Some of these facies exhibit high porosity and high permeability in a lowpermeability background. The main hydrocarbon accumulation period was the late Early Cretaceous, filling was continuous, and the charging strength altered from weak to strong and then from strong to weak. The Yan 10 reservoir is mainly controlled by the paleogeomorphology: hydrocarbons migrated upward at a high speed through the unconformity surface, and accumulated in the favorable traps formed by paleogeomorphic structural units, such as gentle slopes or channel island. Furthermore, groundwater alternation in these areas was relatively stagnant, providing good reservoir preservation conditions. The reservoirs in the Yan 9 and higher members are controlled by the sedimentary facies, lowamplitude structure and paleowater characteristics. Hydrocarbons migrated through the three-dimensional delivery system, influenced by favorable sedimentary facies and high-salinity groundwater, then accumulated in the favorable low-amplitude structural traps that formed during the hydrocarbon production period. | LIU Xin WANG Feng LIU Baojun TIAN Jingchun SHANG Ting MA Jiong ZHANG Zhongyi ZHANG Xiaolei | 2020 | Acta Geologica Sinica(English Edition)2020，94，2： | 4 |
| 13 | Influence of Synthesis Parameters with Low Seed Addition on the Crystallinity of ZSM-5显示文摘ZSM-5 zeolite microparticles(MPs)were synthesized under hydrothermal condition using a low crystal seed addition approach without template.The synthesis parameters such as the seed addition amount,the SiO2/Al2O3ratio,the aluminum source,the feeding addition method,aging,and crystallization were investigated.The structure,morphology and composition of the as-synthesized ZSM-5 zeolite MPs were characterized by X-ray powder diffraction(XRD),scanning electron microscopy(SEM),laser particle size distribution(PSD)measurements,and inductively coupled plasma-atomic emission spectrometry(ICP-AES).The SiO2/Al2O3ratio of ZSM-5 zeolite MPs was in the range of 20—80.The low seed addition was beneficial to improving the crystallinity and shortening the crystallization time,and the suitable amount of seed was 0.25%(SiO2).The ZSM-5 zeolite MPs synthesized with aluminium nitrate nonahydrate used as the aluminum source exhibited a relatively high crystallinity.An appropriate aging time could eliminate the effect of feeding addition method and effectively adjust particle size.The particle size of ZSM-5 zeolite obtained at an aging time of 20 h was around 2.0μm.Prolonging the aging time appropriately could also shorten the high-temperature crystallization time.The suitable aging time was 24 h,and the relative crystallinity of ZSM-5 zeolite could reach up to 99%after crystallization for 24 h at 180℃. | Wang Songlin Wei Huijuan Tang Ying Wang Xiangyu Li Baojun | 2013 | China Petroleum Processing & Petrochemical Technology2013，15，4： | 3 |
| 14 | InP based DFB laser array integrated with MMI coupler显示文摘The techniques used for the fabrication of photonic integrated circuit(PIC) chip are introduced briefly.Then a four channel DFB laser array integrated with MMI coupler and semiconductor optical amplifier(SOA) fabricated with butt-joint technique,varied ridge width and holographic exposure techniques is reported. | ZHU HongLiang MA Li LIANG Song ZHANG Can WANG BaoJun ZHAO LingJuan WANG Wei | 2013 | Chinese Science Bulletin2013，58，7： | 3 |
| 15 | Timing of mineralization at the Shihu gold deposit in the middle segment of the Taihang Mountain, China显示文摘The Shihu gold deposit, located in the middlesouth section of the core of the Fuping mantle branch structure, is hosted in the Archean Fuping Group and adjacent to the quartz diorite porphyrite. The gold deposit is the only large gold deposit with reserves of more than 30 tons gold discovered in western Hebei Province so far. In order to constrain the timing of mineralization of this ore deposit, this paper focuses on the isotopic dating of zircon and pyrite. Zircons in gold-bearing quartz veins are magmatic in origin and no hydrothermal zircon has been found in such quartz veins, indicating that zircons were derived from the wall rocks. U–Pb ages of zircons fall mainly in the two domains: 2492 ± 82 and 136 ± 4 Ma, respectively,indicative of the contribution of the Fuping-Group TTG gneiss and Yanshanian igneous rocks, respectively. The Re–Os isotopic compositions of pyrites in the gold-bearing quartz veins yield an isochron age of 127 ± 31 Ma. Combined with other dating results, we suggest that the main metallogenic age of the Shihu gold deposit is 120–127 Ma. | Chao Chen Shuyin Niu Fang Wang Fuxiang Zhang Qinglian Zhang Baojun Ma Aiqun Sun Jianzhen Zhang Yaqi Cao Xiaoqing Zhang | 2018 | Acta Geochimica2018，37，1： | 3 |
| 16 | A DFT theoretical study of CH_4 dissociation on gold-alloyed Ni(111)surface显示文摘A density-functional theory(DFT)method has been conducted to systematically investigate the adsorption of CHx(x=0~4)as well as the dissociation of CHx(x=1~4)on(111)facets of gold-alloyed Ni surface.The results have been compared with those obtained on pure Ni(111)surface.It shows that the adsorption energies of CHx(x=1~3)are lower,and the reaction barriers of CH4 dissociation are higher in the first and the fourth steps on gold-alloyed Ni(111)compared with those on pure Ni(111).In particular,the rate-determining step for CH4 dissociation is considered as the first step of dehydrogenation on gold-alloyed Ni(111),while it is the fourth step of dehydrogenation on pure Ni(111).Furthermore,the activation barrier in rate-determining step is higher by 0.41 eV on gold-alloyed Ni(111)than that on pure Ni(111).From above results,it can be concluded that carbon is not easy to form on gold-alloyed Ni(111)compared with that on pure Ni(111). | Hongyan Liu Ruixia Yan Riguang Zhang Baojun Wang Kechang Xie | 2011 | Journal of Natural Gas Chemistry2011，20，6： | 2 |
| 17 | Study on the ore-forming and ore-controlling structure of the Mujicun Cu (Mo) ore deposit, Hebei Province, China显示文摘The Mujicun Cu (Mo) ore deposit at Laiyuan, Hebei Province, is a currently proven large-sized Cu (Mo) polymetallic ore deposit and it is located in the second-ordered fault depression basin of the ditachment belt on the hanging-wall on the western side at the juncture of the Laiyuan dumbell-shaped complex in the northern part of the Fuping mantle-branch structure. Metallogenesis is controlled by diorite porphyrite in intrusive relation with the fault depression basin and other relevant fault structure systems and intenstive wall-rock alteration zones. This study, in conjunction with the most recent exploration data, analyzed the geological background of metallogenesis of this deposit, summaried the geological characteristics of typical ore deposits, determined the alteration zonation of the deposit, investigated regional metallogenesis and the genesis of typical ore deposits, discussed the regional ore-forming and ore-controlling structures, and generalized the regional ore-controlling model and metallogenic model of the deposit. It is considered that the Mujicun porphry Cu (Mo) deposit, the Tieling, Futuyu, Xiaoligou and other skarn-type Fe-Cu deposits and the He'ergou hydrothermal-type Pb-Zn-Ag deposit jointly constitute a three-in-one polymetallic orefield, with the characteristics of typical metallogenic series. | NIU Shuyin MA Guoxi CHEN Zhikuan WANG Baode CHEN Lijing SUN Aiqun MA Xiaofeng ZHANG Jianzhen MA Baojun CHEN Chao LU Hongpeng | 2012 | Chinese Journal Of Geochemistry2012，31，1： | 2 |
| 18 | Analysis of Metastatic-Related Gene Expression in Gastric Cancer by Low-Density cDNA Microarrays显示文摘OBJECTIVE To screen metastatic-related genes in human gastric cancer by a low-density cDNA microarray technique. METHODS A total of 18 paired gastric cancer and adjacent normal mu-cosa were examined by a low-density cDNA microarray containing 23 genes. RT-PCR was used for further verification. RESULTS The mRNA expression of MMP -7, heparanase, S100A4, hTERT, hRad17 in gastric cancers was higher than that in coupled normal mucosa (P=0.002, 0.00011, 0.000072, 0.002, 0.00016 respectively), whereas nm23H1, and CDH1 were lower (P=0.003, 0.012 respectively). The concordance was verified further by RT-PCR with a correlation coefficient of 0.774. In gastric primary lesions the mRNA expression of MMP-7, heparanase and S100A4 was higher in the serosa involved compared to non-involved (P=0.003, 0.009, 0.012 respectively), whereas nm23H1, CDH1, KAI1 were lower (P=0.001, 0.001, 0.006 respectively). With respect to the area of serosa involvement, MMP-7 and heparanase expressions were higher in an area of more than 20 cm2 compared to an area of less than 20 cm2 (P=0.001, 0.02 respectively), whereas nm23H1, CDH1 and KAI1 were lower (P=0.030, 0.041, 0.031 respectively). MMP-7 and hTERT expressions were higher in the heavier lymph node metastatic cases (no less than 7) than in the lighter lymph node metastatic cases (no more than 6, P=0.001, 0.005 respectively). CONCLUSION Expression of MMP -7, S100A4, heparanase, hTERT, KAI1, CDH1 and nm23H1 correlated closely with invasion and metastasis in gastric carcinomas. The low-density cDNA microarrays can be used to examine the expression of many genes simultaneously, parallely and quickly. | Baojun Huang Huimian Xu Yujie Zhao Zhenning Wang Shaocheng Wang | 2006 | Chinese Journal of Clinical Oncology2006，3，2： | 2 |
| 19 | Abundant heterointerfaces in MOF-derived hollow CoS_(2)-MoS_(2) nanosheet array electrocatalysts for overall water splitting显示文摘Rational coupling of hydrogen evolution reaction(HER) and oxygen evolution reaction(OER) catalysts is extremely important for practical overall water splitting,but it is still challenging to construct such bifunctional heterostructures.Herein,we present a metal-organic framework(MOF)-etching strategy to design free-standing and hierarchical hollow CoS_(2)-MoS_(2) heteronanosheet arrays for both HER and OER.Resulting from the controllable etching of MOF by MoO_(4)^(2-) and in-situ sulfuration,the obtained CoS_(2)-MoS_(2) possesses abundant heterointerfaces with modulated local charge distribution,which promote water dissociation and rapid electrocatalytic kinetics.Moreover,the two-dimensional hollow array architecture can not only afford rich surface-active sites,but also facilitate the penetration of electrolytes and the release of evolved H_(2)/O_(2) bubbles.Consequently,the engineered CoS_(2)-MoS_(2) heterostructure exhibits small overpotentials of 82 mV for HER and 266 mV for OER at 10 mA cm^(-2).The corresponding alkaline electrolyzer affords a cell voltage of 1.56 V at 10 mA cm^(-2) to boost overall water splitting,along with robust durability over 24 h, even surpassing the benchmark electrode couple composed of IrO_(2) and Pt/C The present work may provide valuable insights for developing MOF-derived heterogeneous electrocatalysts with tailored interface/surface structure for widespread application in catalysis and other energyrelated areas. | Yuanjian Li Wenyu Wang Baojun Huang Zhifei Mao Rui Wang Beibei He Yansheng Gong Huanwen Wang | 2021 | Journal of Energy Chemistry2021，30，6： | 2 |
| 20 | Ethane dehydrogenation over the g-C_(3)N_(4)supported metal singleatom catalysts to enhance reactivity and coking-resistance ability显示文摘Ethane dehydrogenation(EDH)to produce ethylene requires high operating temperature to achieve satisfactory ethylene yield,however,this process leads to coke formation and catalyst deactivation.Here,an active site isolation strategy was employed to inhibit side reaction and coke formation over fifteen types of metal single-atom metal/graphitic carbon nitride(M/g-C_(3)N_(4))catalysts.Density functional theory(DFT)calculations completely describe reaction network of ethane dehydrogenation.Onlattice kinetic Monte Carlo simulations were carried out to evaluate catalytic performance under the realistic conditions.The Co/g-C_(3)N_(4),Rh/g-C_(3)N_(4),Ni/g-C_(3)N_(4)catalysts were screened out to exhibit higher C_(2)H_(4)(g)formation activity and C_(2)H_(4)(g)selectivity close to or equal to 100%.The low reactant partial pressure 0%–5%at atmospheric pressure facilitates ethane dehydrogenation,and the appropriate temperatures over Co/g-C_(3)N_(4),Rh/g-C_(3)N_(4),Ni/g-C_(3)N_(4)catalysts are 673.15,723.15,723.15 K,respectively.Especially,Co/g-C_(3)N_(4)catalyst presents the highest C_(2)H_(4)(g)formation activity,attributing to the appropriate antibonding strength between C atom and metal single-atom.Further,a simple descriptor,the reaction energy of C_(2)H_(5)*dehydrogenation to C_(2)H_(4)*,was proposed to quantitatively and quickly evaluate C_(2)H_(4)(g)formation activity.The present study laid a solid foundation for efficient design and development of single-atom catalysts with high-performance for selective dehydrogenation of alkanes. | Yuan Zhang Baojun Wang Maohong Fan Lixia Ling Riguang Zhang | 2023 | Nano Research2023，16，5： | 2 |
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