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| 1 | Machine learning accelerated calculation and design of electrocatalysts for CO_(2) reduction显示文摘In the past decades,machine learning(ML)has impacted the field of electrocatalysis.Modern researchers have begun to take advantage of ML‐based data‐driven techniques to overcome the computational and experimental limitations to accelerate rational catalyst design.Hence,significant efforts have been made to perform ML to accelerate calculation and aid electrocatalyst design for CO_(2) reduction.This review discusses recent applications of ML to discover,design,and optimize novel electrocatalysts.First,insights into ML aided in accelerating calculation are presented.Then,ML aided in the rational design of the electrocatalyst is introduced,including establishing a data set/data source selection and validation of descriptor selection of ML algorithms validation and predictions of the model.Finally,the opportunities and future challenges are summarized for the future design of electrocatalyst for CO_(2) reduction with the assistance of ML. | Zhehao Sun Hang Yin Kaili Liu Shuwen Cheng Gang Kevin Li Sibudjing Kawi Haitao Zhao Guohua Jia Zongyou Yin | 2022 | SmartMat2022，3，1： | 2 |
| 2 | Hollow structured Cu@ZrO_(2) derived from Zr-MOF for selective hydrogenation of CO_(2) to methanol显示文摘The development of a highly efficient catalyst for CO_(2) activation and selective conversion to methanol is critical to address the issues associated with the high thermal stability of CO_(2) and controllable synthesis of methanol.Cu-based catalysts have been widely studied because of the low cost and excellent performance in mild conditions.However,the improvement of catalytic activity and selectivity remains challenging.Herein,we prepared hollow Cu@ZrO_(2) catalysts through pyrolysis of Cu-loaded Zr-MOF for CO_(2) hydrogenation to methanol.Low-temperature pyrolysis generated highly dispersed Cu nanoparticles with balanced Cu^(0)/Cu^(+)sites,larger amounts of surface basic sites and abundant Cu-ZrO_(2) interface in the hollow structure,contributing to enhanced catalytic capacity for adsorption/activation of CO_(2) and selective hydrogenation to methanol.In situ Fourier Transform Infrared Spectroscopy revealed the methanol formation followed the formate-intermediated pathway.This work would provide a guideline for the design of high-performance catalysts and the understanding of the mechanism and active sites for CO_(2) hydrogenation to methanol. | Xiaoyu Han Maoshuai Li Xiao Chang Ziwen Hao Jiyi Chen Yutong Pan Sibudjing Kawi Xinbin Ma | 2022 | Journal of Energy Chemistry2022，31，8： | 2 |
| 3 | 金属有机化学气相沉积法制备SnO_2/MCM-41半导体传感器及其性能研究显示文摘采用金属有机化学气相沉积(MOCVD)法制备了SnO2/MCM-41半导体传感器,考察了沉积时间和沉积温度对SnO2/MCM-41半导体传感器的SnO2沉积量、比表面积和孔径的影响;研究发现,随着SnO2沉积量的增加,孔径有规律地下降,说明SnO2较均匀地沉积在介孔分子筛MCM-41的孔道之中.SnO2/MCM-41半导体传感器对CO和H2具有较高的传感性能,其传感性能的大小与CO和H2的浓度成正比. | 刘秀丽 高国华 KAWI Sibudjing | 2007 | 高等学校化学学报2007，28，9： | 2 |
| 4 | Effects of structural and non-structural Al species on the stability of MCM-41 materials in boiling water显示文摘 | Shen S C | 2000 | Mater Lett2000，42，12： | 1 |
| 5 | Synthesis, growth mechanism, and properties of open-hexagonal and nanoporous-wall ceria nanotubes fabricated via alkaline hydrothermal route显示文摘 | WU X S KAWI S J | 2010 | Crystal Growth and Design2010，10，4： | 1 |
| 6 | Naveed Polyradiculopathy : A Rare Complication of Neurobrucellosis 显示文摘 | Al-Sous W Al- Kawi MZ Bohlega SI | 1999 | Neurology1999，52，6： | 1 |
| 7 | Comparison of mesoporous and microporous solid acid catalysts for highly selective synthesis of thymol by vapor phase isopropylation of m-cresol显示文摘 | KAWI S | 2008 | Microporous and Mesoporous Materials2008，109，： | 1 |
| 8 | Synthesis and evaluation of a ruthenium-copper oxide/silica catalyst derived from microemulsion processing显示文摘 | Zhang Kai Chew C Kawi S | 2000 | Catal Lett2000，64，24： | 1 |
| 9 | The direct decompo- sition of NO over the La2CuO4 nanofiber catalyst 显示文摘 | Gao Lizhen Chua Huitong Kawi S | 2008 | Journal of Solid State Chemistry2008，181，： | 1 |
| 10 | Effect of Zr O2loading on the structure,acidity,and catalytic activity of the SO42-/Zr O2/MCM-41 acid catalyst显示文摘 | Xia Q H Hidajat K Kawi S | 2002 | Journal of Catalysis2002，205，： | 1 |
| 11 | Generation of Bronsted Acid Sites on Si-MCM-41 by Grafting of Phosphorous Species显示文摘 | Kawi S Shen S C Chew P L | 2002 | J Mater Chem2002，12，： | 1 |
| 12 | Direct synthesis and catalytic performance of ultralarge pore GaSBA-15 mesoporous molecular sieves with high gallium content显示文摘 | Selvaraj M Kawi S | 2008 | Catal Today2008，131，1234： | 1 |
| 13 | Chemlnform abstract:progress in synthesis of highly active and stable nickelbased catalysts for carbon dioxide reforming of methane显示文摘 | Kawi S Kathiraser Y Ni Jun | 2015 | Chemsuschem2015，46，5： | 1 |
| 14 | Adsorption and catalytic combustion of aromatics oil platinum-supported MCM-41 materials显示文摘 | Xia Q H Hiaiat K Kawi S | 2001 | Catal Today2001，68，： | 1 |
| 15 | Effect of ZrO2 loading on the structure, acidity, and catalytic activity of the SO2-4/ZrO2/MCM-41 acid catalyst显示文摘 | Xia Q H Hidajat K Kawi S | 2002 | J Catal2002，205，2： | 1 |
| 16 | Promotional effect of alkaline earth over Ni - La2O3 catalyst for CO2 reforming of CH4: Role of surface oxygen species on H2 production and carbon suppression 显示文摘 | Sutthiumpom K Kawi S | 2011 | International Journal of Hydrogen Energy2011，36，14： | 1 |
| 17 | Functionalized SBA-15 materials as carriers for controlled drug delivery:Influence of surface properties on matrix-drug interactions显示文摘 | Song SW Hidajat K Kawi S | | 0，，21： | 1 |
| 18 | Relationships between sensitivity, catalytic activity, and surface areas of SnO gas sensors显示文摘 | Li G J Zhang X H Kawi S | 1999 | Sens Actuators B1999，60，1： | 1 |
| 19 | High-surface-area SnO2:a novel semiconductor-oxide gas sensor显示文摘 | Li G J Kawi S | 1998 | Mater Lett1998，34，： | 1 |
| 20 | Functionalized SBA 15 materials as carriers for controlled drug delivery: Influence of surface properties on matrix-drug interactions 显示文摘 | Song S W Hidajat K Kawi S | 2005 | Langmuir2005，21，21： | 1 |
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