A5028524910- Molecular Junctions and Nanostructures
- Quantum and electron transport phenomena
- Graphene research and applications
- Nanowire Synthesis and Applications
- Organic Electronics and Photovoltaics
- 2D Materials and Applications
- Landslides and related hazards
- Force Microscopy Techniques and Applications
- Cryospheric studies and observations
- Electrochemical Analysis and Applications
- MXene and MAX Phase Materials
- Advanced biosensing and bioanalysis techniques
- Organic Light-Emitting Diodes Research
- Advanced Memory and Neural Computing
- Photochromic and Fluorescence Chemistry
- Plasma Diagnostics and Applications
- Perovskite Materials and Applications
- Surface Chemistry and Catalysis
- Electrocatalysts for Energy Conversion
- Fuel Cells and Related Materials
- Electrohydrodynamics and Fluid Dynamics
- Analytical Chemistry and Sensors
- Hydrocarbon exploration and reservoir analysis
- Semiconductor materials and devices
- Surface and Thin Film Phenomena
Shandong Normal University
2016-2025
China Agricultural University
2024
China Geological Survey
2010-2021
Henan University of Science and Technology
2019
East China University of Science and Technology
2017
Dalian Jiaotong University
2017
Shanghai Tunnel Engineering (China)
2011-2012
Czech Academy of Sciences, Institute of Geology
2011
Chongqing Institute of Geology and Mineral Resources
2010-2011
Mineral Resources
2011
A comprehensive understanding of carrier transport in photoisomeric molecular junctions is crucial for the rational design and delicate fabrication single-molecule functional devices. It has been widely recognized that conductance azobenzene (a class molecules) based mainly determined by photoinduced conformational changes. In this study, it demonstrated most probable amine-anchored azobenzene-based increases continuously upon UV irradiation. contrast, pyridyl-anchored with an identical core...
Abstract Thanks to their excellent bond strength, phenyl‐based molecules with thiol anchoring groups are extensively employed form stable single‐molecule junctions. However, two critical questions still not answered which seriously hinder high‐yield establishing reliable molecular functional devices: (1) Whether dimer junctions will be formed, and if this is the case, whether dimerization caused by intermolecular disulfide bonds or π–π stacking of phenyl rings; (2) Upon a...
On Oct. 11 and Nov. 3, 2018, two large-scale landslides occurred in the same location Baige Village, Tibet, massive rocks fell encroached into Jingsha River. These posed a severe risk to upstream downstream areas. The occurrence, development evolution of are accompanied by large number changes measurable variables. deformation data one most important parameters for characterizing change trends landslide. This paper is centered on results derived from ground-based radar space-borne Synthetic...
Utilizing individual atoms or molecules as functional units in electronic circuits meets the increasing technical demands for miniaturization of traditional semiconductor devices. To be technological interest, these devices should high-yield, consume low amounts energy, and operate at room temperature. In this study, we developed nanodevices called quantized conductance atomic switches (QCAS) that satisfy requirements. The QCAS operates by applying a feedback-controlled voltage to...
By using the first-principles method, here we have theoretically investigated effects of head group on rectifying and spin filtering properties metallocenyl-functionalized undecanethiolate molecular junctions.
Controllable single-molecule logic operations will enable development of reliable ultra-minimalistic circuit elements for high-density computing but require stable currents from multiple orthogonal inputs in molecular junctions. Utilizing the two unique adjacent conductive orbitals (MOs) gated Au/S-(CH2 )3 -Fc-(CH2 )9 -S/Au (Fc = ferrocene) single-electron transistors (≈2 nm), a calculator (SELC) is presented, which allows real-time modulation output current as function input bias (Vb ) and...
Modulating charge cumulation in molecular structure to switch the quantum interference effect (QIE) presents a promising approach for manipulating conductance devices without altering structure, which is...
Abstract The forming processes of 4, 4′-dipyridyl-based single-molecule junctions and mechanically induced conductance switching as well the side-group effects are systematically investigated by applying ab initio -based adiabatic geometric optimization method one-dimension transmission combined with three-dimension correction approximation (OTCTCA) method. numerical results show that for 4′-dipyridyl a π -conjugated phenyl-phosphoryl or diphenylsilyl side group, pyridyl vertically anchors...
The rectifying properties in dipyrimidinyl-diphenyl co-oligomer diodes with asymmetric anchoring groups were investigated using density functional theory combined the nonequilibrium Green's function method. Effects of interfaces caused by both and/or contact geometries electrodes have been investigated. Our results showed that behavior diode could be reversed or largely enhanced adjusting groups. Whether play a positive negative role improving is closely related to each molecular diode....
Electron transport properties of an azulene-like dipole molecule anchored with carbon atomic chains sandwiched between two graphene nanoribbon (GNR) electrodes are theoretically investigated at the ab initio level. The molecular junctions constructed a strategy modulating symmetry Bloch wave functions. chemical doping in armchair-edged GNR is shown to play significant role determining conductance behavior and rectifying performance junctions. Giant rectification ratios up 104 low bias...
Abstract A straightforward method to generate both atomic‐scale sharp and planar electrodes is reported. The are generated by precisely stretching a suspended nanowire, while the obtained via mechanically controllable interelectrodes compression followed thermal‐driven atom migration process. Notably, gap size between can be controlled at subangstrom accuracy with this method. These two types of subsequently employed investigate properties single molecular junctions. It found, for first...
The effects of contact structures and isomers on the current-voltage characteristics molecular bipyridine junctions have been investigated by means a generalized quantum chemical approach based elastic scattering Green's function method. For four $4,{4}^{\ensuremath{'}}$-bipyridine, $2,{2}^{\ensuremath{'}}$-bipyridine, $2,{4}^{\ensuremath{'}}$-bipyridine, $2,{6}^{\ensuremath{'}}$-bipyridine under investigation, $2,{4}^{\ensuremath{'}}$-bipyridine junction is found to be poorest conductor...
The protonation effects on electron transport through a conjugated dipyrimidinyl–diphenyl diblock oligomer sandwiched between two gold electrodes were theoretically investigated using the fully self-consistent nonequilibrium Green's function method combined with density functional theory. All configurations of dipyrimidinyl group molecule considered. numerical results show that prefers to improve ability molecular junction. transmission spectra around Fermi energy are tuned by number and...
Is there still ``plenty of room at the bottom''? The controllable generation atomic-scale gaps is key to fabricating single-molecule-based devices, but it a great challenge accurately fabricate an atom-sized gap between gold nanoelectrodes by lithography. Here strategy termed field-aided atom migration (FAAM) used angstrom-scale efficiently, with $a\phantom{\rule{0}{0ex}}b$...
Dipyridyl molecular junctions often show intriguing conductance switching behaviors with mechanical modulations, but the mechanisms are still not completely revealed. By applying ab initio-based adiabatic simulation method, configuration evolution and electron transport properties of dipyridyl in stretching compressing processes systematically investigated. The numerical results reveal that tend to form specific contact configurations during formation processes. In small electrode gaps,...
The single thiolated arylethynylene molecule with 9,10-dihydroanthracene core (denoted as TADHA) possesses pronounced negative differential conductance (NDC) behavior at lower bias regime. adsorption effects of F2 on the current and NDC TADHA molecular junctions are studied by applying non-equilibrium Green's formalism combined density functional theory. numerical results show that adsorbed benzene ring near electrode can dramatically suppresses junction. When conjugated segment molecule, an...
Molecular switches, as one of the functional molecular components, play a vital role in nanoscale logic circuits. Here, effect intramolecular proton transfer on current single-molecule devices consisting keto or enol molecule sandwiched between two magnetic zigzag graphene nanoribbon (zGNR) electrodes is theoretically investigated. The and tautomers interconvert into each other by transfer. results show that device hardly observed, whereas significantly enhanced, demonstrating highly...