Bottom-up fabrication of graphene nanostructures on Ru(1010).

Investigations on the bottom-up fabrication of graphene nanostructures with 10, 10'-dibromo-9, 9'-bianthryl (DBBA) as a precursor on Ru(1010) were carried out using scanning tunnelling microscopy (STM) and density functional theory (DFT) calculations. Upon annealing the sample at submonolayer DBBA coverage, N = 7 graphene nanoribbons (GNRs) aligned along the [1210] direction form. Higher DBBA coverage and higher annealing temperature lead to the merging of GNRs into ribbon-like graphene nanoflakes with multiple orientations. These nanoflakes show different Moiré patterns, and their structures were determined by DFT simulations. The results showed that GNRs possess growth preference on the Ru(1010) substrate with a rectangular unit cell, and GNRs with armchair and zigzag boundaries are obtainable. Further DFT calculations suggest that the interaction between graphene and the substrate controls the orientations of the graphene overlayer and the growth of graphene on Ru(1010).

Templating ultra-small manganese isomers with preference for adsorption sites and narrow distribution tuned by different moiré periodicities of monolayer graphene on Ru(0001).

The process of templating a manganese nanocluster with the 12 × 12 moiré and other two slightly distorted graphene/Ru(0001) moirés was investigated by scanning tunneling microscopy (STM). At the initial stage of nucleation, different adsorption modes for Mn monomer, dimer and trimer guided by various moiré periodicities were observed. Upon Mn coverage increasing, STM measurements revealed that Mn clusters exhibit a detectable preference for adsorption sites on all the three different moirés. The most favorable adsorption sites for Mn clusters are the fcc regions, where ordering of Mn clusters was observable, and the lateral size of the clusters are tunable with coverage. A density functional theory calculation also showed that magnetism appears with a magnetic moment of 3.79µ(B) for Mn monomer on MLG/Ru(0001).

Coexistence of the topological state and a two-dimensional electron gas on the surface of Bi(2)Se(3).

The surface of a topological insulator plays host to an odd number of linearly-dispersing Dirac fermions, protected against back-scattering by time-reversal symmetry. Such characteristics make these materials attractive not only for studying a range of fundamental phenomena in both condensed matter and particle physics, but also for applications ranging from spintronics to quantum computation. Here, we show that the single Dirac cone comprising the topological state of the prototypical topological insulator Bi(2)Se(3) can co-exist with a two-dimensional electron gas (2DEG), a cornerstone of conventional electronics. Creation of the 2DEG is tied to a surface band-bending effect, which should be general for narrow-gap topological insulators. This leads to the unique situation where a topological and a non-topological, easily tunable and potentially superconducting, metallic state are confined to the same region of space.

The chemisorption of tetracene on Si(100)-2x1 surface.

The adsorption of tetracene on Si(100)-2x1 substrate has been studied by ultraviolet photoemission spectroscopy (UPS). Six features deriving from the organic material are located at 1.22, 2.41, 3.63, 4.67, 7.11, and 8.77 eV below the Fermi level. These features shift in binding energy with increasing the thickness of the organic film. In the case of a monolayer, angle-resolved UPS measurements suggest that the molecular plane is parallel to the substrate. Further theoretical density functional theory calculation reveals the most stable structure of tetracene molecule on Si substrate in which six covalent Si-C chemical bonds are formed between carbon atoms of the tetracene molecule and the Si atoms on the substrate.

Interfacial electronic states of tetracene deposited on Si(111).

The interfacial electronic states of tetracene on Si(111) 7x7 substrate were studied by using ultraviolet photoelectron spectroscopy (UPS). After deposition of tetracene on the Si(111) 7x7 surface, the features originating from the tetracene molecule appear at 1.55, 3.36, 6.78, 9.24, and 10.76 eV below the Fermi level; they shift in binding energy with increasing organic film coverage. From the UPS measurements, the work function of the sample surface was found to decrease with increasing molecular coverage in the submonolayer range suggesting that an interfacial dipole is formed. A density functional theory calculation had also been carried out to determine the favorable adsorption structure. The molecule near the top of a center adatom with the longer molecular axis along the [110] azimuth is the most favorable.

Study of the electronic structure at the interface between fluorene-1-carboxylic acid molecules and Cu(110).

The interface electronic properties of fluorene-1-carboxylic acid (FC-1) adsorbed on Cu(110) have been studied by ultraviolet photoemission spectroscopy (UPS) and first-principles calculations. Both the molecular orbitals and the Cu valence band are significantly modified upon adsorption. FC-1 is chemically bonded to Cu(110) through charge donation and back donation involving the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO) of the molecule. An observed reduction of the work function can be attributed to the adsorption induced charge redistribution, and the positive interface dipole.

Monolayer structure of tetracene on Cu (100) surface: parallel geometry.

The geometrical arrangement of tetracene on Cu (100) surface at monolayer coverage is studied by using scanning tunneling microscopy measurement and density functional theory (DFT) calculations. Tetracene molecule is found to be oriented with its molecular plane parallel to the substrate surface, and no perpendicular geometry is observed at this coverage. The molecule is aligned either in the [011] or [011] direction due to the fourfold symmetry of the Cu (100) surface. DFT calculations show that the molecule with the "flat-lying" mode has larger adsorption energy than that with the "upright standing" mode, indicating that the former is the more stable structure. With the flat-lying geometry, the carbon atoms prefer to be placed between surface Cu atoms. The molecular center prefers to be located at the bridge site between two nearest surface Cu atoms.

Valence electronic properties of n-channel organic materials based on fluorinated derivatives of perylene diimides.

The valence electronic states of three kinds of fluorinated derivatives of perylene diimides, D2MFPP, D3MFPP, and D4MFPP, on Cu(110) and SiO(2)Si surface were studied by photoemission and density functional calculations. When these organic molecules were deposited on the Cu(110) and thermally oxidized SiO(2) surfaces, five well-resolved photoemission features originating from the molecules were observed. On Cu(110) surface, two emission features with pi-like character increased their binding energy with increasing the coverage of organic molecule, indicating a strong interaction between the organic molecules and Cu substrate. The density functional calculations suggest flat-lying adsorption geometry for D3MFPP and D4MFPP on Cu(110) surface.

Study on the interaction between tetracene and Cu(110) surface.

The electronic structure of tetracene on Cu (110) surface has been studied by using ultraviolet photoemission spectroscopy (UPS). The emission features from the organic molecule are located from 1 to 10 eV below the Fermi level, and they shift in binding energy with increasing the coverage of the organic material. For the surface with multilayer of tetracene, six well-resolved features were found at 1.90, 3.40, 4.70, 5.95, 6.95, and 9.15 eV below the Fermi level, respectively. On the surface with a lower coverage of tetracene, angle-resolved UPS measurements suggest that the molecular plane is parallel to the substrate. Density functional theory calculation confirms the flat-lying adsorption mode and shows that the tetracene molecule prefers to be adsorbed on the long bridge site with its long axis in the [110] azimuth.

Study of the initial adsorption state of tetracene on [Formula: see text].

Tetracene on the [Formula: see text] surface has been investigated by ultraviolet photoemission spectroscopy (UPS). The UPS results show features, from tetracene, between 2.0 and 10.0 eV below the Fermi level, and their shift in binding energy with increasing coverage. Angle-resolved UPS (ARUPS) results indicate that the molecular plane of tetracene near the interface is parallel to the substrate. Moreover, an ab initio calculation has also been carried out to determine the favourable adsorption structure. Temperature-dependent UPS measurements show that tetracene is stable on the [Formula: see text] surface up to 150 °C.