Charge transport characterization of single-molecule junctions is essential for the fundamental research of single-molecule physical chemistry and the development towards single-molecule electronic devices and circuit...Charge transport characterization of single-molecule junctions is essential for the fundamental research of single-molecule physical chemistry and the development towards single-molecule electronic devices and circuits. Among the single-molecule conductance characterization techniques,the single-molecule break junction technique is widely used in tens of worldwide research laboratories which can generate a large amount of experimental data from thousands of individual measurement cycles. However,data interpretation is a challenging task for researchers with different research backgrounds,and the different data analysis approaches sometimes lead to the misunderstanding of the measurement data and even reproducibility issues of the measurement. It is thus a necessity to develop a user-friendly all-in-one data analysis tool that automatizes the basic data analysis in a standard and widely accepted way. In this work,we present the XMe Code (Xiamen Molecular Electronics Code),an intelligent all-in-one data analysis tool for the comprehensive analysis of single-molecule break junction data. XMe code provides end-to-end data analysis that takes in the original experimental data and returns electronic characteristics and even charge transport mechanisms. We believe that XMe Code will promote the transparency of the data analysis in single-molecule electronics and the collaborations among scientists with different research backgrounds.展开更多
Nickel/(S)-t-Bu-PHOX complex catalyzed asymmetric arylative cyclization of N-alkynones has been achieved, delivering 1,2,3,6-tetrahydropyridines containing a chiral tertiary alcohol in high yields and excellent enanti...Nickel/(S)-t-Bu-PHOX complex catalyzed asymmetric arylative cyclization of N-alkynones has been achieved, delivering 1,2,3,6-tetrahydropyridines containing a chiral tertiary alcohol in high yields and excellent enantioselectivities, which provides efficient access to chiral tetrahydropyridine and piperidine analogues.展开更多
The investigation of electronic excited states in single-molecule junctions not only provides platforms to reveal the photophysical and photochemical processes at the molecular level,but also brings opportunities for ...The investigation of electronic excited states in single-molecule junctions not only provides platforms to reveal the photophysical and photochemical processes at the molecular level,but also brings opportunities for the development of single-molecule optoelectronic devices.Understanding the interaction mechanisms between molecules and nanocavities is essential to obtain ondemand properties in devices by artificial design,since molecules in junctions exhibit unique behaviors of excited states benefited from the structures of metallic nanocavities.Here,we review the excitation mechanisms involved in the interplay between molecules and plasmonic nanocavities,and reveal the influence of nanostructures on excited-state properties by demonstrating the differences in excited state decay processes.Furthermore,vibronic transitions of molecules between nanoelectrodes are also discussed,offering a new single-molecule characterization method.Finally,we provide the potential applications and challenges in single-molecule optoelectronic devices and the possible directions in exploring the underlying mechanisms of photophysical and photochemical processes.展开更多
Seeking the strategies of designing highly conductive molecular structures is one of the core researches in molecular electronics.As asymmetric structure has manifested feasible properties in comprehensive fields, we ...Seeking the strategies of designing highly conductive molecular structures is one of the core researches in molecular electronics.As asymmetric structure has manifested feasible properties in comprehensive fields, we introduce the structures of asymmetric platinum(Ⅱ) complexes into the charge transport study at single-molecule scale for the first time. The single-molecule conductance measurement results reveal that, in platinum(Ⅱ)-aryloligoynyl structures, the conductance of asymmetrically coordinated complexes is obviously higher than that of the symmetric isomers with the same molecular length, while the conductance is almost identical in symmetric and asymmetric platinum(Ⅱ)-oligoynyl complexes. Theoretical study uncovers that, upon connecting to the oligoynyl structure, the aromatic group effectively extends the π-system of the whole conductive backbone and gathers the HOMO population mainly on the longer oligoynyl ligand, which reduces the energy barrier in electron transport and enhances the conductance through HOMO energy lifting. This result provides feasible strategy for achieving high conductive molecular devices.展开更多
基金supported by the National Natural Science Foundation of China(22325303,21973079,22032004)the National Key R&D Program of China(2017YFA0204902)+2 种基金the Fundamental Research Funds for the Central Universities in China(Xiamen University,20720190002)IRTSTFJ,National Science Foundation of Fujian Province(2018J06004)Beijing National Laboratory for Molecular Sciences(BNLMS202005).
文摘Charge transport characterization of single-molecule junctions is essential for the fundamental research of single-molecule physical chemistry and the development towards single-molecule electronic devices and circuits. Among the single-molecule conductance characterization techniques,the single-molecule break junction technique is widely used in tens of worldwide research laboratories which can generate a large amount of experimental data from thousands of individual measurement cycles. However,data interpretation is a challenging task for researchers with different research backgrounds,and the different data analysis approaches sometimes lead to the misunderstanding of the measurement data and even reproducibility issues of the measurement. It is thus a necessity to develop a user-friendly all-in-one data analysis tool that automatizes the basic data analysis in a standard and widely accepted way. In this work,we present the XMe Code (Xiamen Molecular Electronics Code),an intelligent all-in-one data analysis tool for the comprehensive analysis of single-molecule break junction data. XMe code provides end-to-end data analysis that takes in the original experimental data and returns electronic characteristics and even charge transport mechanisms. We believe that XMe Code will promote the transparency of the data analysis in single-molecule electronics and the collaborations among scientists with different research backgrounds.
基金financial support from the National Natural Science Foundation of China (Nos. 22071188, 21871212)the open foundation of CAS Key Laboratory of Molecular Recognition and Function, the "Double First-Class" Project of Shihezi University。
文摘Nickel/(S)-t-Bu-PHOX complex catalyzed asymmetric arylative cyclization of N-alkynones has been achieved, delivering 1,2,3,6-tetrahydropyridines containing a chiral tertiary alcohol in high yields and excellent enantioselectivities, which provides efficient access to chiral tetrahydropyridine and piperidine analogues.
基金supported by the National Natural ScienceFoundation of China (Nos. 22173075, 21933012 and 31871877)the National Key R&D Program of China (No. 2017YFA0204902)+1 种基金the Fundamental Research Funds for the Central Universities(Nos. 20720200068 and 20720190002)the Beijing NationalLaboratory for Molecular Sciences (No. BNLMS202005).
文摘The investigation of electronic excited states in single-molecule junctions not only provides platforms to reveal the photophysical and photochemical processes at the molecular level,but also brings opportunities for the development of single-molecule optoelectronic devices.Understanding the interaction mechanisms between molecules and nanocavities is essential to obtain ondemand properties in devices by artificial design,since molecules in junctions exhibit unique behaviors of excited states benefited from the structures of metallic nanocavities.Here,we review the excitation mechanisms involved in the interplay between molecules and plasmonic nanocavities,and reveal the influence of nanostructures on excited-state properties by demonstrating the differences in excited state decay processes.Furthermore,vibronic transitions of molecules between nanoelectrodes are also discussed,offering a new single-molecule characterization method.Finally,we provide the potential applications and challenges in single-molecule optoelectronic devices and the possible directions in exploring the underlying mechanisms of photophysical and photochemical processes.
基金This work was supported by National Key R&D Project of China(2017YFA0204902)National Natural Science Foundation of China(21722305,21673195,21973079)+2 种基金FET Open project 767187–Qu IETthe EU project BAC-TO-FUELthe UK EPSRC grants EP/N017188/1,EP/P027156/1 and EP/N03337X/1
基金the National Natural Science Foundation of China(21601182,U1405252,21531008,21673195,21703188,31871877,21933012)the National Key Research and Development Program of China(2014CB845603,2017YFA0204902)+1 种基金the CAS/SAFEA International Partnership Program for Creative Research Teams,the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB20000000)China Postdoctoral Science Foundation(2017M622060).
文摘Seeking the strategies of designing highly conductive molecular structures is one of the core researches in molecular electronics.As asymmetric structure has manifested feasible properties in comprehensive fields, we introduce the structures of asymmetric platinum(Ⅱ) complexes into the charge transport study at single-molecule scale for the first time. The single-molecule conductance measurement results reveal that, in platinum(Ⅱ)-aryloligoynyl structures, the conductance of asymmetrically coordinated complexes is obviously higher than that of the symmetric isomers with the same molecular length, while the conductance is almost identical in symmetric and asymmetric platinum(Ⅱ)-oligoynyl complexes. Theoretical study uncovers that, upon connecting to the oligoynyl structure, the aromatic group effectively extends the π-system of the whole conductive backbone and gathers the HOMO population mainly on the longer oligoynyl ligand, which reduces the energy barrier in electron transport and enhances the conductance through HOMO energy lifting. This result provides feasible strategy for achieving high conductive molecular devices.
