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Revealing the electrocatalytic mechanism of layered crystalline CoMoO_(4)for water splitting:A theoretical study from facet selecting to active site engineering 被引量:2
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作者 Shipeng Geng Liming Chen +4 位作者 Haixin Chen Yi Wang Zhao‐Bin Ding Dandan Cai Shuqin Song 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2023年第7期334-342,共9页
Deciphering the atomic‐level properties and mechanism of electrocatalysts for water splitting is vital for the development of highly active non‐noble‐metal catalysts.Herein,we conduct a detailed study of layered cr... Deciphering the atomic‐level properties and mechanism of electrocatalysts for water splitting is vital for the development of highly active non‐noble‐metal catalysts.Herein,we conduct a detailed study of layered crystalline CoMoO_(4)using density functional theory(DFT)calculations.The layered arrangement of CoMoO_(4)along the[110]lattice direction is observed,and the two thermodynamically stable and most exposed(110)A and(001)A crystal facets are selected among all low‐index facets by surface energy calculations and Wulff construction to study the electrocatalytic activity for alkaline water splitting and corresponding mechanism.CoMoO_(4)with an exposed(110)A facet(i.e.,CMO(110)A)exhibited a high hydrogen evolution reaction(HER)activity,with aΔGH*of 0.22 eV,which is similar to that of Pt because the adsorbed H is allowed to interact with two oxygen atoms(O_(3)and Oadj).The(110)A facet also possesses better H_(2)O adsorption and dissociation abilities than the(001)A facet,benefiting the HER performance in alkaline solutions.Moreover,the overpotential of the(110)A facet for the electrocatalytic oxygen evolution reaction(OER)is only 0.74 V according to the Gibbs free‐energy calculation,this overpotential is lower than that of the(001)A facet(0.84 V)owing to the stronger binding and more stable adsorption states between Co and O for the intermediate*O.By allowing us to identify highly active facets and sites,this approach guided the selective synthesis of CoMoO_(4)and its isostructural substances,such as Mn(Ni,Fe)MoO4 nanocatalysts,for alkaline water splitting. 展开更多
关键词 Density functional theory Water splitting Layered crystalline CoMoO_(4) Facet selecting Active‐site engineering
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Analysis of Seismic Risk at an Engineering Site from Site Effect Seismic Intensity Data Using the Seismotectonic Method——Taking Six Reservoir Dam Sites in Western Anhui as an Example 被引量:1
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作者 Zhang Jie, Wang Xingzhou and Shen XiaoqiSeismological Bureau of Anhui Province, Hefei 230031, China 《Earthquake Research in China》 2003年第4期376-385,共10页
The seismotectonic method is used to study the seismogenic structures and the maximum potential earthquake around an engineering site in order to determine the seismic risk at the site. Analysis of seismic risk from s... The seismotectonic method is used to study the seismogenic structures and the maximum potential earthquake around an engineering site in order to determine the seismic risk at the site. Analysis of seismic risk from site effect seismic intensity data, in combination with regional seismo_geological data, using the seismotectonic method can provide a more reliable result. In this paper, taking the area of six reservoir dam sites in western Anhui as an example, we analyze the seismic risk from site effect seismic intensity data in combination with the seismotectonic conditions and find that P (I≥i)=10% over 50 years. The result shows that the seismogenic structure and the maximum potential earthquake have a controlling effect on seismic risk from future earthquakes in the area around the site. 展开更多
关键词 engineering site Effect seismic intensity Seismogenic structure Seismic risk
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Active Tectonic Research for Seismic Safety Evaluation of Long-Line Engineering Sites in China
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作者 Ran Yongkang Chen Lichun 《Earthquake Research in China》 2005年第3期317-326,共10页
Long-line engineering sites usually have to pass through active tectonics, so the research of active tectonics is of great importance to seismic safety evaluation of this sort of site. In the paper, basing on the summ... Long-line engineering sites usually have to pass through active tectonics, so the research of active tectonics is of great importance to seismic safety evaluation of this sort of site. In the paper, basing on the summarization and analysis of the requirements for seismic safety evaluation of long-line engineering site and the status quo of active tectonics research, we propose the focal points of active tectonics research for seismic safety evaluation of long-line engineering sites, including the research contents, technical targets and routes, and the submission of the achievements, etc. Finally, we make a preliminary analysis and discussion about the problems existing in the present-day active tectonics research for seismic safety evaluation of long-line engineering sites. 展开更多
关键词 Seismic safety evaluation Long-line engineering site Active tectonics
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Application of 2-D and 3-D Geo-electrical Resistivity Tomography and Geotechnical Soil Evaluation for Engineering Site Investigation:A Case Study of Okerenkoko Primary School,Warri-Southwest,Delta State,Nigeria
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作者 U.Stanley Eze M.Edirin Okiotor +3 位作者 J.E.Ighodalo B.Jennifer Owonaro A.Saleh Saleh A.Sikiru Jamiu 《Advances in Geological and Geotechnical Engineering Research》 2023年第2期1-23,共23页
In the design of building structures,joint efforts must be decided to resolve the depth of competent layers across the intended site to safeguard the durability of civil engineering structures and to avert the disastr... In the design of building structures,joint efforts must be decided to resolve the depth of competent layers across the intended site to safeguard the durability of civil engineering structures and to avert the disastrous consequences of structural failure and collapse.In this study,an integrated methodology that employed DC resistivity tomography involving 2-D and 3-D techniques and geotechnical-soil analysis was used to evaluate subsoil conditions for engineering site investigation at Okerenkoko primary school,in the Warri-southwest area of Delta State,to adduce the phenomena responsible for the visible cracks/structural failure observed in the buildings.The results obtained brought to light the geological structure beneath the subsurface,which consists of four geoelectric layers identified as topsoil,dry/lithified upper sandy layer,wet sand(water-saturated)and peat/clay/sandy clayey soil(highly water-saturated).The deeply-seated peat/clay materials(ρ≤20Ωm)were delineated in the study area to the depths of 17.1 m and 19.8 m from 2-D and 3-D tomography respectively.3-D images presented as horizontal depth slices revealed the dominance of very low resistivity materials i.e.peat/clay/sandy clay within the fourth,fifth and sixth layers at depths ranging from 8.68-12.5 m,12.5-16.9 m and 16.9-21.9 m respectively.The dominance of mechanically unstable peat/clay/sandy clay layers beneath the subsurface,which are highly mobile in response to volumetric changes,is responsible for the noticeable cracks/failure detected on structures within the study site.These observations were validated by a geotechnical test of soil samples in the study area.Atterberg’s limits of the samples revealed plasticity indices of zero.Thus,the soil samples within the depth analyzed were representatives of sandy soil that does not possess any plasticity.The methods justifiably provided relevant information on the subsurface geology beneath the study site and should be appropriated as major tools for engineering site assessment/geotechnical projects. 展开更多
关键词 2D and 3D resistivity tomography engineering site/structure Atterberg limits Orthogonal lines Radar sounding
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Dependence of corrosion resistance on grain boundary characteristics in a high nitrogen CrMn austenitic stainless steel 被引量:7
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作者 Jianjun Qi Boyuan Huang +3 位作者 Zhenhua Wang Hui Ding Junliang Xi Wantang Fu 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2017年第12期1621-1628,共8页
Processing schedules for grain boundary engineering involving different types of cold deformation(tension, compression, and rolling) and annealing were designed and carried out for 18Mn18Cr0.6N high nitrogen austeni... Processing schedules for grain boundary engineering involving different types of cold deformation(tension, compression, and rolling) and annealing were designed and carried out for 18Mn18Cr0.6N high nitrogen austenitic stainless steel. The grain boundary characteristic distribution was obtained and characterized by electron backscatter diffraction(EBSD) analysis. The corrosion resistance of the specimens with different grain boundary characteristic distribution was examined by using potentiodynamic polarization test. The corrosion behavior of different types of boundaries after sensitization was also studied.The fraction of low-∑ boundaries decreased with increasing strain, and it was insensitive to the type of cold deformation when the engineering strain was lower than 20%. At the strain of 30%, the largest and smallest fractions of low-∑ boundaries were achieved in cold-tensioned and rolled specimens, respectively. The fraction of low-∑ boundaries increased exponentially with the increase of grain size. The proportion of low-∑ angle grain boundaries increased with decreasing grain size. Increasing the fraction of low-∑ boundaries could improve the pitting corrosion resistance for the steels with the same grain size.After sensitization, the relative corrosion resistances of low-∑ angle grain boundaries, ∑3 boundaries, and ∑9 boundaries were 100%, 95%, and 25%, respectively, while ∑27 boundaries, other low-∑ boundaries and random high-angle grain boundaries had no resistance to corrosion. 展开更多
关键词 High nitrogen stainless steel Grain boundary engineering Coincidence site lattice Corrosion resistance
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Interfacial polymer:plastic’s solar hydrogen makeover
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作者 Yiqing Wang Shaohua Shen 《Science Bulletin》 2025年第18期2897-2899,共3页
Semiconductor based photocatalysis that harvests renewable solar energy to produce green hydrogen has attracted widespread attention[1],known for its environmental friendliness,low opera-tional costs,and scalability.E... Semiconductor based photocatalysis that harvests renewable solar energy to produce green hydrogen has attracted widespread attention[1],known for its environmental friendliness,low opera-tional costs,and scalability.Extensive experimental and theoretical explorations have significantly advanced the development of pho-tocatalysts for overall water splitting at laboratory scale[2],by band structure engineering[3],heterostructure construction[4],active site design[5],and even micro-/macro-texture modulation[6,7].Preliminary demonstration and verification of its large-scale application have been accomplished using SrTiO_(3) as photocatalyst[8].However,this technology yet faces the great challenges in practical application,with solar-to-hydrogen conversion efficiency still lower than 2%,suffering from the thermodynamically and kinetically constrained water splitting reactions[9].Although some well documented strategies(e.g.,light concentration,exter-nal heat,and concentrated electrolytes)could overcome these pho-tocatalytic limitations to some extent[10],the introduced harsh reaction conditions would significantly compromise the durability of photocatalysts[11].For example,to realize the practical applica-tion of photocatalytic recycling and upgrading of plastic wastes into solar hydrogen,strong alkaline solutions containing mono-meric constituents should serve as feedstocks for photo-reforming[12],with photocatalysts exposed to the harsh alkaline condition and then suffering from degradation and inactivation. 展开更多
关键词 semiconductor based photocatalysis green hydrogen water splitting solar hydrogen band structure engineering heterostructure construction active site design experimental theoretical explorations PHOTOCATALYSIS SEMICONDUCTOR
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