Characteristics of Si(111) surface with embedded C84 molecules

Huang, Chih-Pong; Su, Wan-Sheng; Su, C. W.; Ho, Mon−Shu

doi:10.1039/c3ra22151b

Cited by 4 publications

(13 citation statements)

References 35 publications

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“…15 The measured properties of a synthetic C 84 monolayer on the silicon substrate (C 84 /Si) are comparable to that of SiC. 16 For example, the bandgap of C 84 /Si is 3.14 eV, whereas that of SiC is 3.03-3.26 eV. The breakdown electric eld of C 84 /Si (for eld emission application) is 4 Â 10 6 V cm À1 , whereas that of SiC is 2.2 to 2.4 Â 10 6 V cm À1 .…”

Section: Introductionmentioning

confidence: 87%

“…15,16 For UHV-STM imaging, we employed a sample bias voltage and tunneling current of À2 V and 0.1 nA, respectively. A fullerene overlayer was deposited on top of this substrate in an ultra-high vacuum (UHV) held at a pressure of less than 5 Â 10 À8 Pa at 650 C via a K-cell (Vacweld, Miniature K-cell).…”

Section: Methodsmentioning

confidence: 99%

“…In addition, these defects (micropipes and dislocations) could propagate into device structures and cause device failure, resulting in a decay of the electric transport property. 16 For example, the bandgap of C 84 /Si is 3.14 eV, whereas that of SiC is 3.03-3.26 eV. [7][8][9] In 1985, Kroto et al found a 32-sided molecule formed of 60 carbon atoms (C 60 ), named a Buckminster fullerene or "Buckyball", whose diameter is 7.1Å.…”

Section: Introductionmentioning

confidence: 99%

“…As a result, we have developed a synthetic version of SiC by embedding C 84 fullerene molecules into a silicon substrate surface rather than by compaction of SiC lms or nanocrystals. In addition, the dramatic change in properties makes possible not only in the application of electronic device but also in that of optoelectronic, 16 batteries, 17 new generation photo-resists, 18,19 nonvolatile memories, 20 and cutting tool material. 10 Several fullerene molecules composed of spherical or spheroidal clusters of cage-like carbon molecules, such as C 70 , 11 C 76 , 12 C 82 , 12 and C 84 , 14 among others, have been either predicted or discovered.…”

Section: Introductionmentioning

confidence: 99%

“…Therefore, this monolayer fullerene on Si thin lm is proposed to scale down the size of current electronic device in a nano device, in contrast to the SiC substrate. In addition, the dramatic change in properties makes possible not only in the application of electronic device but also in that of optoelectronic, 16 batteries, 17 new generation photo-resists, 18,19 nonvolatile memories, 20 and cutting tool material.…”

Section: Introductionmentioning

confidence: 99%

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Using a functional C₈₄ monolayer to improve the mechanical properties and alter substrate deformation

Lee

Huang

et al. 2015

RSC Adv.

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The nanoindentations of a silicon (111) substrate covered with a manipulated C 84 monolayer are explored by molecular dynamics (MD) simulation and further verified by experiments. Calculations show that pop-in events and a stick-slip event are exhibited in the C 84 /Si substrate during the loading process, where the pop-in events are caused by the severe deformation of the C 84 molecule, while the stick-slip event takes place at the interface between the tip and C 84 molecule. The resulting deformed conformations and mechanical properties influenced by the diverse indentation mechanisms are also presented. Such a nanoindentation simulation model provides a powerful way to understand at an atomic level the interaction of the parts of an interface, and of the system as a whole. The experimental measurements from ultra-high vacuum atomic force microscopy (AFM) are compared with theoretical findings. Our investigations offer a possible replacement for semiconductor carbide.

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Section: Introductionmentioning

confidence: 87%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Using a functional C₈₄ monolayer to improve the mechanical properties and alter substrate deformation

Lee

Huang

et al. 2015

RSC Adv.

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Theoretical Investigation of Molecular and Electronic Structures of Buckminsterfullerene-Silicon Quantum Dot Systems

et al. 2016

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Theoretical simulations of embedding and relaxation of buckminsterfullerene C 60 molecules chemisorbed on representative surfaces and inside a bulk silicon lattice were performed using both the generalized gradient density functional theory (GGA-DFT) and the self-consistent-charge density-functional tight-binding (DFTB) molecular dynamics (DFTB/MD) methods. We chose fullerene molecules as representative models for general quantum dots on the surface or inside bulk a semiconductor, in this case silicon. If a single C 60 molecule is chemisorbed on (001) and (111) silicon slab surfaces, static GGA-DFT calculations show that the C 60 molecule deformation was very small and the C 60 binding energies were roughly around 4 eV. In these configurations, the analysis of the charge distributions shows that the charge of C 60 molecules on the (001) and (111) silicon surfaces was only between -2 to -3.5 electrons, respectively, that is correlates well with number of C-Si bonds linking the fullerene molecule and the silicon surface. On the other hand, static  Current address: Atotech Deutschland GmbH, 10553 Berlin, Germany GGA-DFT calculations of C 60 molecule relaxation inside suitable hollow spheres in the bulk silicon were performed. After the silicon bulk-C 60 system relaxation, we investigated electronic density of states (DOS), partial DOS and charge distribution. These calculations confirm that the C 60 molecule remains stable inside bulk silicon having deformation energy values of between 11 and 15 eV for geometries with different rotational C 60 configurations, respectively. Formation of some C-Si bonds cause local silicon amorphization and corresponded electronic charge uptake on the embedded fullerene cages. According to еру charge analysis, these quantum dots can accept up to 20 excess electrons, wherein while the main charge contribution is located on the carbon atom bonded to silicon atoms. The dynamic embedding process was modeled using the DFTB/MD method by placing a C 60 molecule on top of a Si (111) slab surface and further exposition to a stream of silicon dimers with kinetic energies equivalent to a temperature of ~723 K directed to the C 60 -silicon surface. After the final MD shot, the resulting geometry was fully relaxed. These calculations show that during landing of the C 60 molecule on the silicon surface and subsequent overgrowth by silicon, C 60 molecule remains stable inside bulk silicon, wherein the C 60 molecule adopts a deformation energy of about 17.8 eV and the overgrowth process leads to a local silicon amorphization, in qualitatively good agreement with the static GGA-DFT calculations.

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Template-Assisted Proximity for Oligomerization of Fullerenes

et al. 2018

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Demonstrated herein is an unprecedented porous template-assisted reaction at the solid-liquid interface involving bond formation, which is typically collision-driven and occurs in the solution and gas phases. The template is a TMA (trimesic acid) monolayer with two-dimensional pores that host fullerenes, which otherwise exhibit an insignificant affinity to an undecorated graphite substrate. The confinement of C units in the TMA pores formulates a proximity that is ideal for bond formation. The oligomerization of C is triggered by an electric pulse via a scanning tunneling microscope tip. The spacing between C moieties becomes 1.4 nm, which is larger than the edge-to-edge diameter of 1.1-1.2 nm of C due to the formation of intermolecular single bonds. In addition, the characteristic mass-to-charge ratios of dimers and trimers are observed by mass spectrometry. The experimental findings shed light on the active role of spatially tailored templates in facilitating the chemical activity of guest molecules.

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Characteristics of Si(111) surface with embedded C84 molecules

Cited by 4 publications

References 35 publications

Using a functional C₈₄ monolayer to improve the mechanical properties and alter substrate deformation

Using a functional C₈₄ monolayer to improve the mechanical properties and alter substrate deformation

Theoretical Investigation of Molecular and Electronic Structures of Buckminsterfullerene-Silicon Quantum Dot Systems

Template-Assisted Proximity for Oligomerization of Fullerenes

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Characteristics of Si(111) surface with embedded C84 molecules

Cited by 4 publications

References 35 publications

Using a functional C84 monolayer to improve the mechanical properties and alter substrate deformation

Using a functional C84 monolayer to improve the mechanical properties and alter substrate deformation

Theoretical Investigation of Molecular and Electronic Structures of Buckminsterfullerene-Silicon Quantum Dot Systems

Template-Assisted Proximity for Oligomerization of Fullerenes

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Product

Resources

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Using a functional C₈₄ monolayer to improve the mechanical properties and alter substrate deformation

Using a functional C₈₄ monolayer to improve the mechanical properties and alter substrate deformation