A new three-dimensional supramolecular [Ce2(2,5-pydc)3(H2O)2](1) has been hydrothermally synthesized at 180 ℃ and characterized by single-crystal X-ray diffraction.X-ray crystal analyses reveal that the compoun...A new three-dimensional supramolecular [Ce2(2,5-pydc)3(H2O)2](1) has been hydrothermally synthesized at 180 ℃ and characterized by single-crystal X-ray diffraction.X-ray crystal analyses reveal that the compound belongs to the monoclinic system,space group P21/c,C21H13Ce2N3O14,a = 6.561(1),b = 17.986(5),c = 9.411(3) ,β = 95.558(5)° and Z = 2.In the structure of 1,each Ce(1) center is surrounded by 2,5-pydc ligands,forming the 6-connected node,and the 2,5-pydc ligand coordinates to the Ce(Ⅲ) in two different coordination modes.In mode 1,the four oxygen atoms of two carboxyl groups connect neighboring Ce(Ⅲ) ions,giving 4-connected(4-c) second building unit(SBU-1).Furthermore,the structure is extended into a 2-D layer from SBU-1 by sharing Ce(1) atoms.In mode 2,the ligand coordinates to the Ce(Ⅲ) ion from the adjacent chain with the 4-connected(4-c) second building unit(SBU-2),generating a 1-D ladder from SBU-2 by sharing Ce(1) atoms.Finally,the structure is extended into a 6,4,4-c network.Its photoluminescence property was also investigated.展开更多
A fuzzy neural network (FNN) model is developed to predict the 4-CBA concentration of the oxidation unit in purified terephthalic acid process. Several technologies are used to deal with the process data before modeli...A fuzzy neural network (FNN) model is developed to predict the 4-CBA concentration of the oxidation unit in purified terephthalic acid process. Several technologies are used to deal with the process data before modeling.First,a set of preliminary input variables is selected according to prior knowledge and experience. Secondly,a method based on the maximum correlation coefficient is proposed to detect the dead time between the process variables and response variables. Finally, the fuzzy curve method is used to reduce the unimportant input variables.The simulation results based on industrial data show that the relative error range of the FNN model is narrower than that of the American Oil Company (AMOCO) model. Furthermore, the FNN model can predict the trend of the 4-CBA concentration more accurately.展开更多
Soft sensor is attractive in dealing with online product quality measurement by virtue of other easily measured variables. In AMOCO PTA (purified terephthalic acid) production process, the unavailability of real-time ...Soft sensor is attractive in dealing with online product quality measurement by virtue of other easily measured variables. In AMOCO PTA (purified terephthalic acid) production process, the unavailability of real-time measurement of 4-CBA makes it impossible for timely adjustment and thereby influences the product quality and the plant economy benefit. In this paper, a kind of FCMAC (fuzzy cerebellar model articulation controller) method is presented to solve the online measurement problem. Different from the conventional CMAC (cerebellar model articulation controller) networks, which has inferior smoothing ability because of its table look-up based technology. Integrating fuzzy model into CMAC networks, it becomes more accurate in functional mapping without weakening its generalization ability. Numerical example and industrial application results show the method proposed here is satisfactory and feasible.展开更多
This paper relates to an advanced open mobile communication system and method of integrating the mobile communications, wireless access systems and wired communications into one common platform architecture for China&...This paper relates to an advanced open mobile communication system and method of integrating the mobile communications, wireless access systems and wired communications into one common platform architecture for China's 4th generation mobile communications, supporting costeffective broadband voice, data and video services in wireless, mobile and wired environment with one single integrated mobile terminal device. The paper includes new architecture in the integrated mobile device and converged network access, and minimum modifi cation in the existing mobile telecommunication infrastructures. This paper introduces the long-term evolution strategy for China's TDD system platform towards China's future 4G mobile communications.展开更多
A 2D coordination polymer built by sodium ion and water-soluble p-sulfonatothiacalix[4]arene of trivalent yttrium complex [Na(H2O)2Y(H2O)6(DMF) (p-sulfonatothiaca lix[4]arene)]-9H2O is reported. The complex be...A 2D coordination polymer built by sodium ion and water-soluble p-sulfonatothiacalix[4]arene of trivalent yttrium complex [Na(H2O)2Y(H2O)6(DMF) (p-sulfonatothiaca lix[4]arene)]-9H2O is reported. The complex belongs to the monoclinic system, space group P2 1/c, with a = 16.703(3), b = 17.819(4), c = 17.357(4)A, β = 106.23(3)°, Z = 4, V = 4960.0(17)A^3, Mr = 1304.08, Dc = 1.746 g/cm^3,μ= 1.624 mm^-1, F(000) = 2688, the final R = 0.0398 and wR = 0.1132 for 7534 observed reflections with I 〉 2σ(I). One yttrium(Ⅲ) ion is coordinated by the thiacalixarene ligand via the sulfonato group, and also ligated by an oxygen atom of a DMF molecule occupying the cavity of thiacalixarene and six aqua ligands.展开更多
Back-propagation neural network was applied to predict and optimize the synthetic technology of 2-chloro-4,6-dinitroresorcinol. A model was established based on back-propagation neural network using the experimental d...Back-propagation neural network was applied to predict and optimize the synthetic technology of 2-chloro-4,6-dinitroresorcinol. A model was established based on back-propagation neural network using the experimental data of homogeneous design as the training sample set and the technological parameters were optimized by it. The optimal technological parameters are as follows: the reaction time is 4h, the reaction temperature is 80℃, the molar ratio of NaOH to 4,6-dinitro-1,2,3-trichlorobenzene is 5.5:1, the molar ratio of methanol to 4,6-dinitro-1,2,3- trichlorobenzene is 11:1, and the molar ratio of water to 4,6-dinitro-1,2,3-trichlorobenzene is 70:1. Under the optimal conditions, three groups of experiments were performed and the average yield of 2-chloro-4,6-dinitroresorcinol is 96.64%, the absolute error of it with the predicted value is -1.07%.展开更多
Mobile cellular data networks have allowed users to access the Internet whilst on the move. Many companies use this technology in their products. Examples of this would be Smart Meters in the home and Tesla cars havin...Mobile cellular data networks have allowed users to access the Internet whilst on the move. Many companies use this technology in their products. Examples of this would be Smart Meters in the home and Tesla cars having their “over the air updates”. Both of these two companies use the 4G and 5G technology. So this report will include a technical overview of the technology and protocols (LTE Advanced) used in 4G and 5G networks and how they provide services to the user and how data is transferred within the networks. And there are lots of different parts about the network architecture between the 4G and 5G systems. This report will talk about some different parts between these two systems and some challenges in them.展开更多
The first tier of automotive manufacturers has faced to pressures about move,modify,updating tasks for manufacturing resources in production processes from demand response of production order sequence for motor compan...The first tier of automotive manufacturers has faced to pressures about move,modify,updating tasks for manufacturing resources in production processes from demand response of production order sequence for motor company and process innovation purpose for productivity. For meets this requirements,it has to require absolutely lead time to re-wiring of physical interface for production equipment,needs for change existing program and test over again.For prepare this constraints,it needs studying an auto-configuration functions that build for both visibility and flexibility based on the 4M(Man,Machine,Material, Method)group management which is supports from WSN (Wireless Sensor Network)of the open embedded device called M2M(Machine to Machine)and major functions of middleware including point manager for real-time device communication,real-time data management,Standard API (Application Program Interface)and application template management.To be application system to RMS (Reconfigurable Manufacturing System)for rapidly response from various orders and model from motor company that is beginning to establishing the mapping of manufacturing resources of 4M using WSN.展开更多
The FuTURE 4G Time Division Duplex (TDD) trial system uses 3.5 GHz carrier frequency and several crucial technologies including broadband Multiple Input Multiple Output (MIMO) and Orthogonal Frequency Division Multipl...The FuTURE 4G Time Division Duplex (TDD) trial system uses 3.5 GHz carrier frequency and several crucial technologies including broadband Multiple Input Multiple Output (MIMO) and Orthogonal Frequency Division Multiplexing (OFDM). These technologies challenge the link budget and networking analysis of the FuTURE 4G TDD trial network. This paper analyzes the practical 3.5 GHz propagation model and the link budget of Radio Frequency (RF) parameters of the trial system. Moreover,it introduces networking analysis and network planning of the trial system,which combines the field test results of the MIMO system. The FuTURE 4G TDD trial system and its trial network have been accomplished with successful checkup. The trial system fulfills all the requirements with two Access Points (AP) and three Mobile Terminals (MT),which supports multi-user,mobility,a high peak rate of 100 Mb/s,High-Definition TV (HDTV),high-speed data download,and Voice over IP (VoIP) services.展开更多
ZTE Corporation,a leading global provider of telecommunications equipment and network solutions,announced on July 30,2009 that it has been ranked as the second largest global CDMA network supplier with 25%
The first tier of automotive manufacturers has faced to pressures about move, modify, updating tasks for manufacturing resources in production processes from demand response of production order sequence for motor comp...The first tier of automotive manufacturers has faced to pressures about move, modify, updating tasks for manufacturing resources in production processes from demand response of production order sequence for motor company and process innovation purpose for productivity. For meets this requirements, it has to require absolutely lead time to re-wiring of physical interface for production equipment, needs for change existing program and test over again. For prepare this constraints, it needs studying an auto-configuration functions that build for both visibility and flexibility based on the 4M (Man, Machine, Material, Method) group management which is supports from WSN (Wireless Sensor Network) of the open embedded device called M2M (Machine to Machine) and major functions of middleware including point manager for real-time device communication, real-time data management, Standard API (Application Program Interface) and application template management. To be application system to RMS (Reconfigurable Manufacturing System) for rapidly response from various orders and model from motor company that is beginning to establishing the mapping of manufacturing resources of 4M using WSN.展开更多
4 November 2013,Shenzhen,China-ZTE Corporation,a publicly-listed global provider of telecommunications equip ment,network solutions and mobile devices,and BASE Company,the Belgian subsidiary of Dutch mobile operator K...4 November 2013,Shenzhen,China-ZTE Corporation,a publicly-listed global provider of telecommunications equip ment,network solutions and mobile devices,and BASE Company,the Belgian subsidiary of Dutch mobile operator KPN,have launched BASE Company's 4G services in Belgium.展开更多
全球领先的设备软件优化(DSO)厂商风河系统公司与全球领先的网络、安全和嵌入式处理器解决方案供应商Cavium Networks公司日前共同宣布,Wind River Platform for Network Equipment、Linux Edition和Wind River VxWorks6、1已全面支...全球领先的设备软件优化(DSO)厂商风河系统公司与全球领先的网络、安全和嵌入式处理器解决方案供应商Cavium Networks公司日前共同宣布,Wind River Platform for Network Equipment、Linux Edition和Wind River VxWorks6、1已全面支持Cavium Networks的OCTEON多内核MllPS64处理器产品系列。展开更多
With the arrival of the 4G and 5G,the telecommunications networks have experienced a large expansion of these networks.That enabled the integration of many services and adequate flow,thus enabling the operators to res...With the arrival of the 4G and 5G,the telecommunications networks have experienced a large expansion of these networks.That enabled the integration of many services and adequate flow,thus enabling the operators to respond to the growing demand of users.This rapid evolution has given the operators to adapt,their methods to the new technologies that increase.This complexity becomes more important,when these networks include several technologies to access different from the heterogeneous network like in the 4G network.The dimensional new challenges tell the application and the considerable increase in demand for services and the compatibility with existing networks,the management of mobility intercellular of users and it offers a better quality of services.Thus,the proposed solution to meet these new requirements is the sizing of the EPC(Evolved Packet Core)core network to support the 5G access network.For the case of Orange Guinea,this involves setting up an architecture for interconnecting the core networks of Sonfonia and Camayenne.The objectives of our work are of two orders:(1)to propose these solutions and recommendations for the heart network EPC sizing and the deployment to be adopted;(2)supply and architectural interconnection in the heart network EPC and an existing heart network.In our work,the model of traffic in communication that we use to calculate the traffic generated with each technology has link in the network of the heart.展开更多
Machine learning(ML)integrated with density functional theory(DFT)calculations have recently been used to accelerate the design and discovery of single-atom catalysts(SACs)by establishing deep structure–activity rela...Machine learning(ML)integrated with density functional theory(DFT)calculations have recently been used to accelerate the design and discovery of single-atom catalysts(SACs)by establishing deep structure–activity relationships.The traditional ML models are always difficult to identify the structural differences among the single-atom systems with different modification methods,leading to the limitation of the potential application range.Aiming to the structural properties of several typical two-dimensional MA_(2)Z_(4)-based single-atom systems(bare MA_(2)Z_(4) and metal single-atom doped/supported MA_(2)Z_(4)),an improved crystal graph convolutional neural network(CGCNN)classification model was employed,instead of the traditional machine learning regression model,to address the challenge of incompatibility in the studied systems.The CGCNN model was optimized using crystal graph representation in which the geometric configuration was divided into active layer,surface layer,and bulk layer(ASB-GCNN).Through ML and DFT calculations,five potential single-atom hydrogen evolution reaction(HER)catalysts were screened from chemical space of 600 MA_(2)Z_(4)-based materials,especially V_(1)/HfSn_(2)N_(4)(S)with high stability and activity(Δ_(GH*)is 0.06 eV).Further projected density of states(pDOS)analysis in combination with the wave function analysis of the SAC-H bond revealed that the SAC-dz^(2)orbital coincided with the H-s orbital around the energy level of−2.50 eV,and orbital analysis confirmed the formation ofσbonds.This study provides an efficient multistep screening design framework of metal single-atom catalyst for HER systems with similar two-dimensional supports but different geometric configurations.展开更多
文摘A new three-dimensional supramolecular [Ce2(2,5-pydc)3(H2O)2](1) has been hydrothermally synthesized at 180 ℃ and characterized by single-crystal X-ray diffraction.X-ray crystal analyses reveal that the compound belongs to the monoclinic system,space group P21/c,C21H13Ce2N3O14,a = 6.561(1),b = 17.986(5),c = 9.411(3) ,β = 95.558(5)° and Z = 2.In the structure of 1,each Ce(1) center is surrounded by 2,5-pydc ligands,forming the 6-connected node,and the 2,5-pydc ligand coordinates to the Ce(Ⅲ) in two different coordination modes.In mode 1,the four oxygen atoms of two carboxyl groups connect neighboring Ce(Ⅲ) ions,giving 4-connected(4-c) second building unit(SBU-1).Furthermore,the structure is extended into a 2-D layer from SBU-1 by sharing Ce(1) atoms.In mode 2,the ligand coordinates to the Ce(Ⅲ) ion from the adjacent chain with the 4-connected(4-c) second building unit(SBU-2),generating a 1-D ladder from SBU-2 by sharing Ce(1) atoms.Finally,the structure is extended into a 6,4,4-c network.Its photoluminescence property was also investigated.
基金Supported by the National Outstanding Youth Science Foundation of China (No. 60025308).
文摘A fuzzy neural network (FNN) model is developed to predict the 4-CBA concentration of the oxidation unit in purified terephthalic acid process. Several technologies are used to deal with the process data before modeling.First,a set of preliminary input variables is selected according to prior knowledge and experience. Secondly,a method based on the maximum correlation coefficient is proposed to detect the dead time between the process variables and response variables. Finally, the fuzzy curve method is used to reduce the unimportant input variables.The simulation results based on industrial data show that the relative error range of the FNN model is narrower than that of the American Oil Company (AMOCO) model. Furthermore, the FNN model can predict the trend of the 4-CBA concentration more accurately.
基金Supported by the special Funds for Major State Basic Research Program of China (973 Program) (No. 2002CB312200) the 863 Hi-Tech. Research and Development Program of China (No. 2001AA413130, No.2002AA412110)the Key Technologies R&D Programme of China (No. 2001BA201A04).
文摘Soft sensor is attractive in dealing with online product quality measurement by virtue of other easily measured variables. In AMOCO PTA (purified terephthalic acid) production process, the unavailability of real-time measurement of 4-CBA makes it impossible for timely adjustment and thereby influences the product quality and the plant economy benefit. In this paper, a kind of FCMAC (fuzzy cerebellar model articulation controller) method is presented to solve the online measurement problem. Different from the conventional CMAC (cerebellar model articulation controller) networks, which has inferior smoothing ability because of its table look-up based technology. Integrating fuzzy model into CMAC networks, it becomes more accurate in functional mapping without weakening its generalization ability. Numerical example and industrial application results show the method proposed here is satisfactory and feasible.
文摘This paper relates to an advanced open mobile communication system and method of integrating the mobile communications, wireless access systems and wired communications into one common platform architecture for China's 4th generation mobile communications, supporting costeffective broadband voice, data and video services in wireless, mobile and wired environment with one single integrated mobile terminal device. The paper includes new architecture in the integrated mobile device and converged network access, and minimum modifi cation in the existing mobile telecommunication infrastructures. This paper introduces the long-term evolution strategy for China's TDD system platform towards China's future 4G mobile communications.
文摘A 2D coordination polymer built by sodium ion and water-soluble p-sulfonatothiacalix[4]arene of trivalent yttrium complex [Na(H2O)2Y(H2O)6(DMF) (p-sulfonatothiaca lix[4]arene)]-9H2O is reported. The complex belongs to the monoclinic system, space group P2 1/c, with a = 16.703(3), b = 17.819(4), c = 17.357(4)A, β = 106.23(3)°, Z = 4, V = 4960.0(17)A^3, Mr = 1304.08, Dc = 1.746 g/cm^3,μ= 1.624 mm^-1, F(000) = 2688, the final R = 0.0398 and wR = 0.1132 for 7534 observed reflections with I 〉 2σ(I). One yttrium(Ⅲ) ion is coordinated by the thiacalixarene ligand via the sulfonato group, and also ligated by an oxygen atom of a DMF molecule occupying the cavity of thiacalixarene and six aqua ligands.
文摘Back-propagation neural network was applied to predict and optimize the synthetic technology of 2-chloro-4,6-dinitroresorcinol. A model was established based on back-propagation neural network using the experimental data of homogeneous design as the training sample set and the technological parameters were optimized by it. The optimal technological parameters are as follows: the reaction time is 4h, the reaction temperature is 80℃, the molar ratio of NaOH to 4,6-dinitro-1,2,3-trichlorobenzene is 5.5:1, the molar ratio of methanol to 4,6-dinitro-1,2,3- trichlorobenzene is 11:1, and the molar ratio of water to 4,6-dinitro-1,2,3-trichlorobenzene is 70:1. Under the optimal conditions, three groups of experiments were performed and the average yield of 2-chloro-4,6-dinitroresorcinol is 96.64%, the absolute error of it with the predicted value is -1.07%.
文摘Mobile cellular data networks have allowed users to access the Internet whilst on the move. Many companies use this technology in their products. Examples of this would be Smart Meters in the home and Tesla cars having their “over the air updates”. Both of these two companies use the 4G and 5G technology. So this report will include a technical overview of the technology and protocols (LTE Advanced) used in 4G and 5G networks and how they provide services to the user and how data is transferred within the networks. And there are lots of different parts about the network architecture between the 4G and 5G systems. This report will talk about some different parts between these two systems and some challenges in them.
基金supported by the Industry Foundation project from the Ministry of Knowledge Economy in the Korean Government.
文摘The first tier of automotive manufacturers has faced to pressures about move,modify,updating tasks for manufacturing resources in production processes from demand response of production order sequence for motor company and process innovation purpose for productivity. For meets this requirements,it has to require absolutely lead time to re-wiring of physical interface for production equipment,needs for change existing program and test over again.For prepare this constraints,it needs studying an auto-configuration functions that build for both visibility and flexibility based on the 4M(Man,Machine,Material, Method)group management which is supports from WSN (Wireless Sensor Network)of the open embedded device called M2M(Machine to Machine)and major functions of middleware including point manager for real-time device communication,real-time data management,Standard API (Application Program Interface)and application template management.To be application system to RMS (Reconfigurable Manufacturing System)for rapidly response from various orders and model from motor company that is beginning to establishing the mapping of manufacturing resources of 4M using WSN.
基金the National Natural Science Foundation of China under Grant 60496312the 863 Program of China under Grants 2003AA12331004 and 2006AA01Z260.
文摘The FuTURE 4G Time Division Duplex (TDD) trial system uses 3.5 GHz carrier frequency and several crucial technologies including broadband Multiple Input Multiple Output (MIMO) and Orthogonal Frequency Division Multiplexing (OFDM). These technologies challenge the link budget and networking analysis of the FuTURE 4G TDD trial network. This paper analyzes the practical 3.5 GHz propagation model and the link budget of Radio Frequency (RF) parameters of the trial system. Moreover,it introduces networking analysis and network planning of the trial system,which combines the field test results of the MIMO system. The FuTURE 4G TDD trial system and its trial network have been accomplished with successful checkup. The trial system fulfills all the requirements with two Access Points (AP) and three Mobile Terminals (MT),which supports multi-user,mobility,a high peak rate of 100 Mb/s,High-Definition TV (HDTV),high-speed data download,and Voice over IP (VoIP) services.
文摘ZTE Corporation,a leading global provider of telecommunications equipment and network solutions,announced on July 30,2009 that it has been ranked as the second largest global CDMA network supplier with 25%
文摘The first tier of automotive manufacturers has faced to pressures about move, modify, updating tasks for manufacturing resources in production processes from demand response of production order sequence for motor company and process innovation purpose for productivity. For meets this requirements, it has to require absolutely lead time to re-wiring of physical interface for production equipment, needs for change existing program and test over again. For prepare this constraints, it needs studying an auto-configuration functions that build for both visibility and flexibility based on the 4M (Man, Machine, Material, Method) group management which is supports from WSN (Wireless Sensor Network) of the open embedded device called M2M (Machine to Machine) and major functions of middleware including point manager for real-time device communication, real-time data management, Standard API (Application Program Interface) and application template management. To be application system to RMS (Reconfigurable Manufacturing System) for rapidly response from various orders and model from motor company that is beginning to establishing the mapping of manufacturing resources of 4M using WSN.
文摘4 November 2013,Shenzhen,China-ZTE Corporation,a publicly-listed global provider of telecommunications equip ment,network solutions and mobile devices,and BASE Company,the Belgian subsidiary of Dutch mobile operator KPN,have launched BASE Company's 4G services in Belgium.
文摘全球领先的设备软件优化(DSO)厂商风河系统公司与全球领先的网络、安全和嵌入式处理器解决方案供应商Cavium Networks公司日前共同宣布,Wind River Platform for Network Equipment、Linux Edition和Wind River VxWorks6、1已全面支持Cavium Networks的OCTEON多内核MllPS64处理器产品系列。
文摘With the arrival of the 4G and 5G,the telecommunications networks have experienced a large expansion of these networks.That enabled the integration of many services and adequate flow,thus enabling the operators to respond to the growing demand of users.This rapid evolution has given the operators to adapt,their methods to the new technologies that increase.This complexity becomes more important,when these networks include several technologies to access different from the heterogeneous network like in the 4G network.The dimensional new challenges tell the application and the considerable increase in demand for services and the compatibility with existing networks,the management of mobility intercellular of users and it offers a better quality of services.Thus,the proposed solution to meet these new requirements is the sizing of the EPC(Evolved Packet Core)core network to support the 5G access network.For the case of Orange Guinea,this involves setting up an architecture for interconnecting the core networks of Sonfonia and Camayenne.The objectives of our work are of two orders:(1)to propose these solutions and recommendations for the heart network EPC sizing and the deployment to be adopted;(2)supply and architectural interconnection in the heart network EPC and an existing heart network.In our work,the model of traffic in communication that we use to calculate the traffic generated with each technology has link in the network of the heart.
基金supported by the National Key R&D Program of China(2021YFA1500900)National Natural Science Foundation of China(U21A20298,22141001).
文摘Machine learning(ML)integrated with density functional theory(DFT)calculations have recently been used to accelerate the design and discovery of single-atom catalysts(SACs)by establishing deep structure–activity relationships.The traditional ML models are always difficult to identify the structural differences among the single-atom systems with different modification methods,leading to the limitation of the potential application range.Aiming to the structural properties of several typical two-dimensional MA_(2)Z_(4)-based single-atom systems(bare MA_(2)Z_(4) and metal single-atom doped/supported MA_(2)Z_(4)),an improved crystal graph convolutional neural network(CGCNN)classification model was employed,instead of the traditional machine learning regression model,to address the challenge of incompatibility in the studied systems.The CGCNN model was optimized using crystal graph representation in which the geometric configuration was divided into active layer,surface layer,and bulk layer(ASB-GCNN).Through ML and DFT calculations,five potential single-atom hydrogen evolution reaction(HER)catalysts were screened from chemical space of 600 MA_(2)Z_(4)-based materials,especially V_(1)/HfSn_(2)N_(4)(S)with high stability and activity(Δ_(GH*)is 0.06 eV).Further projected density of states(pDOS)analysis in combination with the wave function analysis of the SAC-H bond revealed that the SAC-dz^(2)orbital coincided with the H-s orbital around the energy level of−2.50 eV,and orbital analysis confirmed the formation ofσbonds.This study provides an efficient multistep screening design framework of metal single-atom catalyst for HER systems with similar two-dimensional supports but different geometric configurations.