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Highly insulating alkane rings with destructive σ-interference

Science China Chemistry 2022年第9期65卷 1822-1828页

作者： Jingyao Ye Alaa Al-Jobory Qian-Chong Zhang Wenqiang Cao Abdullah Alshehab Kai Qu Turki Alotaibi Hang Chen Junyang Liu Ali K.Ismael Zhong-Ning Chen Colin J.Lambert Wenjing Hong State Key Laboratory of Physical Chemistry of Solid Surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China Department of Physics Lancaster UniversityLancaster LA14YBUK State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China Department of Physics College of Education for Pure ScienceTikrit UniversityTikritIraq Department of Physics College of ScienceUniversity of AnbarAnbarIraq School of Physical Science and Technology Shanghai Tech UniversityShanghai 201210China Department of Physics College of ScienceKing Faisal UniversityAlAhsaSaudi Arabia Department of Physics College of ScienceJouf UniversitySkakaSaudi Arabia

Destructive quantum interference(DQI)provides a unique approach to controlling the leakage current in the OFF state of molecular ***,the DQI in π-conjugated molecular building blocks cannot exhibit ultralow conductance due to the existence of covalently bonded σ-transport ***,suppressing the σ-contribution via σ-DQI is essential for the fabrication of molecular junctions with high insulation and effective modulation of conductance in single-molecule ***,we demonstrate the existence of σ-DQI even in a simple series of C_(m)C_(n) ring molecules,with parallel chains of m and n alkyl units(where m,n=6,8 or 10),by measuring their electrical conductance and Seebeck ***,the conductance of the symmetric C_(n)C_(n) rings is lower than that of the corresponding single chains(C_(n)),which is in contrast to the conductance superposition law in multi-channeled *** theoretical calculations reveal that the gauche conformation in a shorter chain fixed by another chain leads to the decreased conductance in alkyl rings,which originates from the phase-coherent tunneling and DQI in σ-conjugated *** finding suggests that through appropriate conformation locking by cyclization,the covalent alkane system can exhibit DQI,which offers strategies for future designs of molecular electronic devices and materials.

关键词： destructiveσ-interference charge transport single-molecule electronics insulating material alkane ring

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Quantum interference enhanced thermopower in single-molecule thiophene junctions

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Chinese Chemical Letters 2022年第1期33卷 523-526页

作者： Hang Chen Yaorong Chen Hewei Zhang Wenqiang Cao Chao Fang Yicheng Zhou Zongyuan Xiao Jia Shi Wenbo Chen Junyang Liu Wenjing Hong State Key Laboratory of Physical Chemistry of Solid Surfaces iChEMCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China Shanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power Shanghai University of Electric PowerShanghai 200090China Beijing National Laboratory for Molecular Sciences Beijing 100190China

Quantum interference(QI)effects,which offer unique opportunities to widely manipulate the charge transport properties in the molecular junctions,will have the potential for achieving high *** we developed a scanning tunneling microscope break junction technique to investigate the thermopower through single-molecule thiophene *** observed that the thermopower of 2,4-TPSAc with destructive quantum interference(DQI)was nearly twice of 2,5-TP-SAc without DQI,while the conductance of the 2,4-TP-SAc was two orders of magnitude lower than that of 2,***,we found the thermopower was almost the same by altering the anchoring group or thiophene core in the control experiments,suggesting that the QI effect is responsible for the increase of *** density functional theory(DFT)calculations are in quantitative agreement with the experimental *** results reveal that QI effects can provide a promising platform to enhance the thermopower of molecular junctions.

关键词： Quantum interference Thermopower Thermoelectric device single-molecule electronics single-molecule junctions

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Conductance of a single molecule C_(60)-SnPc heterojunction

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Chinese Chemical Letters 2022年第2期33卷 1074-1076页

作者： Yifan Wang Mingjun Zhong Jie Li Hao Tang Richard Berndt Yajie Zhang Shimin Hou Yongfeng Wang Key Laboratory for the Physics and Chemistry of Nanodevices and Center for Carbon-based electronics Department of ElectronicsPeking UniversityBeijing 100871China CEMES-CNRS Boîte Postale 94347Toulouse 31055France Institut für Experimentelle und Angewandte Physik Christian-Albrechts-Universität zu KielKiel D-24098Germany Beijing Academy of Quantum Information Sciences Beijing 100193China Institute of Spin Science and Technology South China University of TechnologyGuangzhou 511442China

Geometries of molecule-molecule interfaces strongly influence the current passing from one molecule to another. The contact conductance of molecule-molecule junctions which consist of fullerene and tin phthalocyanine molecules is investigated with a low-temperature scanning tunneling microscope. Two types of molecules are deposited onto Cu(111). Fullerene molecules are transferred to tips through controlled contact of STM tips on molecules. The molecule-molecule junctions are formed by approaching fullereneterminated tips to tin phthalocyanine molecules on Cu(111). Our experimental method can be extended to study the intermolecular charge transport of a range of molecular junctions.

关键词： single-molecule electronics Switch C_(60) Phthalocyanine STM

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Intermolecular coupling enhanced thermopower in single-molecule diketopyrrolopyrrole junctions

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National Science Open 2023年第1期2卷 13-23页

作者： Chao Fang Renad Almughathawi Qingqing Wu Wenqiang Cao Hang Chen Songjun Hou Yu Gu Hewei Zhang Yi Zhao Jueting Zheng Guopeng Li Jia Shi Junyang Liu Bing-Wei Mao Zitong Liu Colin J.Lambert Wenjing Hong State Key Laboratory of Physical Chemistry of Solid Surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China Department of Physics Lancaster UniversityLancaster LA14YBUK State Key Laboratory of Applied Organic Chemistry(SKLAOC) College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000China Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM) Xiamen 361005China Beijing National Laboratory for Molecular Sciences Beijing 100190China Department of Physics Faculty of ScienceTaibah UniversityMadinahSaudi Arabia

Sorting out organic molecules with high thermopower is essential for understanding molecular *** intermolecular coupling offers a unique chance to enhance the thermopower by tuning the bandgap structure of molecular devices,but the investigation of intermolecular coupling in bulk materials remains ***,we investigated the thermopower of diketopyrrolopyrrole(DPP)cored single-molecule junctions with different coupling strengths by varying the packing density of the self-assembled monolayers(SAM)using a customized scanning tunneling microscope break junction(STM-BJ)*** found that the thermopower of DPP molecules could be enhanced up to one order of magnitude with increasing packing density,suggesting that the thermopower increases with larger neighboring intermolecular *** combined density functional theory(DFT)calculations revealed that the closely-packed configuration brings stronger intermolecular coupling and then reduces the highest occupied molecular orbital(HOMO)-lowest unoccupied molecular orbital(LUMO)gap,leading to an enhanced *** findings offer a new strategy for developing organic thermoelectric devices with high thermopower.

关键词： single-molecule electronics single-molecule junctions thermopower thermoelectric devices intermolecular coupling

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