以水杨酸为模板剂和还原剂,采用水热法制备得到了一种MoO3纳米带/RGO复合材料。利用XRD、SEM、TEM、拉曼光谱、恒流充放电、交流阻抗等手段对样品的结构、形貌以及电化学性能进行表征。测试结果表明,MoO3纳米带/RGO复合材料作为锂离子...以水杨酸为模板剂和还原剂,采用水热法制备得到了一种MoO3纳米带/RGO复合材料。利用XRD、SEM、TEM、拉曼光谱、恒流充放电、交流阻抗等手段对样品的结构、形貌以及电化学性能进行表征。测试结果表明,MoO3纳米带/RGO复合材料作为锂离子电池负极材料,在50 m A·g-1的电流密度下可逆比容量为1 000 m Ah·g-1,循环50次后比容量还保持在950 m Ah·g-1,相比于MoO3纳米带其容量保持能力和循环性能得到了显著改善。展开更多
A mesoporous(d=2.3mm)silica-pillared layered tetratita nate with a super gallery(d 001 =1.84mm)was prepared by first preswelling layered tetratitanate with n-dodecyl amine,then reacting with 20wt%NH 2 (CH 2 ) 3 Si (OC...A mesoporous(d=2.3mm)silica-pillared layered tetratita nate with a super gallery(d 001 =1.84mm)was prepared by first preswelling layered tetratitanate with n-dodecyl amine,then reacting with 20wt%NH 2 (CH 2 ) 3 Si (OC 2 H 5 ) 3 aqueous solution,and finally calcinating the resultant solid product i n air at 550℃.All the reaction was carried out hydrothermally in an aut oclave at 130℃.The obtained materia l has a relatively high BET surface area of204m 2 ·g -1 and a thermal stability beyond 600℃.The catalytic application of the material was also investigated by using the dehydration of isopropanol and the reform of n-hexane as two probing reactions.展开更多
Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular chirality.Tradition-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well ...Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular chirality.Tradition-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well for small or medium-sized molecules,but struggle with large sys-tems due to high computational costs,making it a significant challenge to ac-curately and efficiently predict the ECD properties of complex systems.Within the framework of the generalized energy-based fragmentation(GEBF)method for localized excited states(ESs)calculation,we propose a combination algorithm for calculating rotatory strengths of ESs in condensed phase systems.This algorithm estimates the rotatory strength of the total system by calculating and combin-ing the transition electric and magnetic dipole moments of subsystems.We have used the GEBF method to calculate the ECD properties of chiral drug molecule derivatives,green fluo-rescent protein,and cyclodextrin derivatives,and compared their results with traditional methods or experimental data.The results show that this method can efficiently and accu-rately predict the ECD spectra of these systems.Thus,the GEBF method for ECD spectra demonstrates great potential in the chiral analysis of complex systems and chiral material design,promising to become a powerful theoretical tool in chiral chemistry.展开更多
CO_(2) methanation has a potential in the large-scale utilization of carbon dioxide.It has also been considered to be useful for the renewable energy storage.The commercial pipeline for natural gas transportation can ...CO_(2) methanation has a potential in the large-scale utilization of carbon dioxide.It has also been considered to be useful for the renewable energy storage.The commercial pipeline for natural gas transportation can be directly applied for the methane product of CO_(2) methanation.The supported ruthenium(Ru)catalyst has been confirmed to be active and stable for CO_(2) methanation with its high ability in the dissociation of hydrogen and the strong binding of carbon monoxide.CO_(2) methanation over the supported Ru catalyst is structure sensitive.The size of the Ru catalyst and the support have significant effects on the activity and the mechanism.A significant challenge re-mained is the structural controllable preparation of the supported Ru catalyst toward a sufficiently high low-temperature activity.In this review,the recent progresses in the investigations of the supported Ru catalysts for CO_(2) methanation are summarized.The challenges and the future devel-opments are also discussed.展开更多
The heterogeneous catalytic oxidation of toluene by O_(2)is an inherently safe and green route for production of benzaldehyde,but after more than fifty years of effort,it remains a great challenge.Here,we report the b...The heterogeneous catalytic oxidation of toluene by O_(2)is an inherently safe and green route for production of benzaldehyde,but after more than fifty years of effort,it remains a great challenge.Here,we report the best heterogeneous catalyst,TeO_(x)/MoVTeNbO,up to now for the green oxidation of toluene by O_(2)to benzaldehyde,balancing the catalyst activity,selectivity,and stability.The deposition of TeO_(x) endows the MoVTeNbO composite oxide with entirely new property for toluene oxidation and the surface engineering mechanism has been fully explained.The discrete TeO_(x) clusters on the surface,shielding the nonselective oxidation sites that interact strongly with the benzene ring of toluene molecule,allows toluene molecule to chemically adsorb to the surface perpendicularly and the methyl is then prone to oxidation to aldehyde on the reshaped selective oxidation sites,where V=O is the main active species responsible for continuously extracting hydrogen from methyl and implanting oxygen to form benzaldehyde.The TeO_(x) clusters participate in this reaction through variable valences and stabilize benzaldehyde by couple interaction with the–CHO group of benzaldehyde,thereby achieving high selectivity to benzaldehyde(>95%).The extended works indicate that the catalytic mechanism is effective in a series of selective oxidation of toluene homologues to corresponding aldehydes.展开更多
基金This work is supported by the National Natural Science Foundation of China(No.22073046 and No.62011530133)the Fundamental Research Funds for the Central Universities(No.020514380256).
文摘以水杨酸为模板剂和还原剂,采用水热法制备得到了一种MoO3纳米带/RGO复合材料。利用XRD、SEM、TEM、拉曼光谱、恒流充放电、交流阻抗等手段对样品的结构、形貌以及电化学性能进行表征。测试结果表明,MoO3纳米带/RGO复合材料作为锂离子电池负极材料,在50 m A·g-1的电流密度下可逆比容量为1 000 m Ah·g-1,循环50次后比容量还保持在950 m Ah·g-1,相比于MoO3纳米带其容量保持能力和循环性能得到了显著改善。
文摘A mesoporous(d=2.3mm)silica-pillared layered tetratita nate with a super gallery(d 001 =1.84mm)was prepared by first preswelling layered tetratitanate with n-dodecyl amine,then reacting with 20wt%NH 2 (CH 2 ) 3 Si (OC 2 H 5 ) 3 aqueous solution,and finally calcinating the resultant solid product i n air at 550℃.All the reaction was carried out hydrothermally in an aut oclave at 130℃.The obtained materia l has a relatively high BET surface area of204m 2 ·g -1 and a thermal stability beyond 600℃.The catalytic application of the material was also investigated by using the dehydration of isopropanol and the reform of n-hexane as two probing reactions.
基金supported by the National Natural Science Foundation of China(No.22273038 and No.22033004).
文摘Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular chirality.Tradition-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well for small or medium-sized molecules,but struggle with large sys-tems due to high computational costs,making it a significant challenge to ac-curately and efficiently predict the ECD properties of complex systems.Within the framework of the generalized energy-based fragmentation(GEBF)method for localized excited states(ESs)calculation,we propose a combination algorithm for calculating rotatory strengths of ESs in condensed phase systems.This algorithm estimates the rotatory strength of the total system by calculating and combin-ing the transition electric and magnetic dipole moments of subsystems.We have used the GEBF method to calculate the ECD properties of chiral drug molecule derivatives,green fluo-rescent protein,and cyclodextrin derivatives,and compared their results with traditional methods or experimental data.The results show that this method can efficiently and accu-rately predict the ECD spectra of these systems.Thus,the GEBF method for ECD spectra demonstrates great potential in the chiral analysis of complex systems and chiral material design,promising to become a powerful theoretical tool in chiral chemistry.
文摘CO_(2) methanation has a potential in the large-scale utilization of carbon dioxide.It has also been considered to be useful for the renewable energy storage.The commercial pipeline for natural gas transportation can be directly applied for the methane product of CO_(2) methanation.The supported ruthenium(Ru)catalyst has been confirmed to be active and stable for CO_(2) methanation with its high ability in the dissociation of hydrogen and the strong binding of carbon monoxide.CO_(2) methanation over the supported Ru catalyst is structure sensitive.The size of the Ru catalyst and the support have significant effects on the activity and the mechanism.A significant challenge re-mained is the structural controllable preparation of the supported Ru catalyst toward a sufficiently high low-temperature activity.In this review,the recent progresses in the investigations of the supported Ru catalysts for CO_(2) methanation are summarized.The challenges and the future devel-opments are also discussed.
文摘The heterogeneous catalytic oxidation of toluene by O_(2)is an inherently safe and green route for production of benzaldehyde,but after more than fifty years of effort,it remains a great challenge.Here,we report the best heterogeneous catalyst,TeO_(x)/MoVTeNbO,up to now for the green oxidation of toluene by O_(2)to benzaldehyde,balancing the catalyst activity,selectivity,and stability.The deposition of TeO_(x) endows the MoVTeNbO composite oxide with entirely new property for toluene oxidation and the surface engineering mechanism has been fully explained.The discrete TeO_(x) clusters on the surface,shielding the nonselective oxidation sites that interact strongly with the benzene ring of toluene molecule,allows toluene molecule to chemically adsorb to the surface perpendicularly and the methyl is then prone to oxidation to aldehyde on the reshaped selective oxidation sites,where V=O is the main active species responsible for continuously extracting hydrogen from methyl and implanting oxygen to form benzaldehyde.The TeO_(x) clusters participate in this reaction through variable valences and stabilize benzaldehyde by couple interaction with the–CHO group of benzaldehyde,thereby achieving high selectivity to benzaldehyde(>95%).The extended works indicate that the catalytic mechanism is effective in a series of selective oxidation of toluene homologues to corresponding aldehydes.
基金financially supported by the Key Science & Technology Specific Projects of Yangzhou, Jiangsu Province of China (YZ2010024)the Key Science & Technology Specific Projects of Guangxi Province of China (11107021-3-1)+1 种基金the Scientific Research Project of Guangxi Education Department (201010LX186)the Doctoral Foundation of Guilin University of Technology (002401003321)~~
