Fabricating Atom-Sized Gaps by Field-Aided Atom Migration in Nanoscale Junctions

Liu, Ran; Bi, Jun-Jie; Xie, Zhen; Yin, Kaikai; Wang, Dunyou; Zhang, Guang-Ping; Dong, Xiaopeng; Wang, Chuan‐Kui; Li, Zong-Liang

doi:10.1103/physrevapplied.9.054023

Cited by 32 publications

(15 citation statements)

References 56 publications

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“…The schematic structures of Ag-electrode and Au-electrode 1,4-diethynylbenzene molecular junctions are shown in Figure . Based on our knowledge, ,, by carefully fabricating probe-type electrodes with the scanning tunneling microscope-based break-junction (STM-BJ) technique or mechanically controllable break junction (MCBJ) technique, − a pyramid-shaped atomic-sharp electrode can generally be fabricated; , thereby, the pyramid-shaped electrodes are employed for the upper electrode in the stretching process simulations. To simulate the substrate electrode of the STM-BJ technique, the plane-shaped electrodes are used for the bottom electrodes.…”

Section: Theoretical Models and Computational Detailsmentioning

confidence: 99%

“…These three issues are extremely difficult to be directly revealed experimentally at present. 6,31−34 Based on our knowledge, we consider that these issues are closely related to the hardness of the atom-sized interface of nanoscale electrodes, which dominates the configuration evolutions in the forming processes of molecular junctions, 6,33 but have been seldom concerning so far. Gold and silver are the elements of the same family; thus, for general consideration, their chemical properties are somewhat alike.…”

Section: Introductionmentioning

confidence: 99%

“…6,33,43,44 It should be mentioned that some critical interface configurations are even difficult to be guessed and designed directly in numerical calculations; thus, it is very significant to reveal and understand the configuration evolution processes by ab initio calculations. 33,34,45 Additionally, the stretching process simulations of molecular junction need step-by-step geometric optimizations; thereby, the adiabatic calculations are the tasks which consume enormous computational cost.…”

Section: Introductionmentioning

confidence: 99%

“…(3) Whether the contact configurations are formed inevitably or just accidently? These three issues are extremely difficult to be directly revealed experimentally at present. ,− …”

Section: Introductionmentioning

confidence: 99%

“…Based on our knowledge, we consider that these issues are closely related to the hardness of the atom-sized interface of nanoscale electrodes, which dominates the configuration evolutions in the forming processes of molecular junctions, , but have been seldom concerning so far. Gold and silver are the elements of the same family; thus, for general consideration, their chemical properties are somewhat alike. − However, due to different hardnesses, atom-sized gold and silver will show intriguing differences in their physical properties, including the dynamics processes, contact configurations, and electron transport properties, when they are used as nanoelectrodes in the molecular junctions. ,, To verify these considerations, in this work, exhaustive ab initio calculations are performed on the forming processes of 1,4-diethynylbenzene molecular junctions with gold and silver electrodes.…”

Section: Introductionmentioning

confidence: 99%

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Decoding Forming Processes of Different Contact Configurations in Au- and Ag-Electrode Single-Molecule Junctions

et al. 2021

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Revealing the details of the configuration evolution process at the atom-sized level is fundamentally significant for understanding the interface configuration and further the electron transport property of molecular junctions. However, it is still prohibitively difficult to directly detect the geometric structure of the molecular junction with atom-sized precision in experiment presently. Here, ab initio-based adiabatic and nonadiabatic geometry evolution simulation methods are used to reveal the forming processes of single-molecule junctions. By applying this method, we systematically investigate the forming processes of 1,4-diethynylbenzene molecular junctions with gold and silver electrodes. The numerical results demonstrate that due to different hardnesses of gold and silver, when fabricating the 1,4-diethynylbenzene molecular junction with Ag electrodes by stretching, the ethynyl end is very easy to be adsorbed on the hollow position of the Ag electrode by spontaneously pushing the tip Ag atom aside. However, for the Au-electrode system, the Au atom on the electrode tip is very difficult to be pushed aside, so the ethynyl end is generally adsorbed on the tip atom of the Au electrode. These specific yet significant differences in the forming processes of ethynyl-ended molecular junctions thereby result in the higher conductance of Ag-electrode systems compared with that of Au-electrode ones in experimental measurements.

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Section: Theoretical Models and Computational Detailsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…(3) Whether the contact configurations are formed inevitably or just accidently? These three issues are extremely difficult to be directly revealed experimentally at present. ,− …”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Decoding Forming Processes of Different Contact Configurations in Au- and Ag-Electrode Single-Molecule Junctions

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Stable Universal 1‐ and 2‐Input Single‐Molecule Logic Gates

et al. 2022

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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 molecular orbitals (MOs) of gated Au/S‐(CH2)3‐Fc‐(CH2)9‐S/Au (Fc = ferrocene) single‐electron transistors (≈2 nm), a stable single‐electron logic calculator (SELC) is presented, which allows real‐time modulation of output current as a function of orthogonal input bias (Vb) and gate (Vg) voltages. Reliable and low‐voltage (ǀVbǀ ≤ 80 mV, ǀVgǀ ≤ 2 V) operations of the SELC depend upon the unambiguous association of current resonances with energy shifts of the MOs (which show an invariable, small energy separation of ≈100 meV) in response to the changes of voltages, which is confirmed by electron‐transport calculations. Stable multi‐logic operations based on the SELC modulated current conversions between the two resonances and Coulomb blockade regimes are demonstrated via the implementation of all universal 1‐input (YES/NOT/PASS_1/PASS_0) and 2‐input (AND/XOR/OR/NAND/NOR/INT/XNOR) logic gates.

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Toward Practical Single‐Molecule/Atom Switches

Xu,

Gao,

Emusani

et al. 2024

Advanced Science

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Electronic switches have been considered to be one of the most important components of contemporary electronic circuits for processing and storing digital information. Fabricating functional devices with building blocks of atomic/molecular switches can greatly promote the minimization of the devices and meet the requirement of high integration. This review highlights key developments in the fabrication and application of molecular switching devices. This overview offers valuable insights into the switching mechanisms under various stimuli, emphasizing structural and energy state changes in the core molecules. Beyond the molecular switches, typical individual metal atomic switches are further introduced. A critical discussion of the main challenges for realizing and developing practical molecular/atomic switches is provided. These analyses and summaries will contribute to a comprehensive understanding of the switch mechanisms, providing guidance for the rational design of functional nanoswitch devices toward practical applications.

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Fabricating Atom-Sized Gaps by Field-Aided Atom Migration in Nanoscale Junctions

Cited by 32 publications

References 56 publications

Decoding Forming Processes of Different Contact Configurations in Au- and Ag-Electrode Single-Molecule Junctions

Decoding Forming Processes of Different Contact Configurations in Au- and Ag-Electrode Single-Molecule Junctions

Stable Universal 1‐ and 2‐Input Single‐Molecule Logic Gates

Toward Practical Single‐Molecule/Atom Switches

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