Spatially resolved electronic and vibronic properties of single diamondoid molecules

Wang, Yayu; Kioupakis, Emmanouil; Lu, Xinghua; Wegner, Daniel; Yamachika, Ryan; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Louie, Steven G.; Crommie, Michael F.

doi:10.1038/nmat2066

Cited by 88 publications

(95 citation statements)

References 29 publications

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“…[1][2][3][4] Such systems are promising candidates for tuning of optical properties, [5][6][7] with a variety of applications ranging from molecular building blocks for optoelectronics to biocompatible, photostable biomarkers. [8][9][10][11][12][13][14][15] In particular, the observation of photoluminescence (PL) in reduced-dimensional semiconductor systems, which otherwise exhibit an indirect band gap, like Si and C (diamond), opens possibilities to tailor their optical properties and to interface with already existing technologies. [2][3][4] However, despite numerous studies, [2][3][4]16,17 the fundamental photophysical processes in such systems still are not fully understood.…”

Section: Introductionmentioning

confidence: 99%

Size and shape dependent photoluminescence and excited state decay rates of diamondoids

Richter

Wolter

Zimmermann

et al. 2014

Phys. Chem. Chem. Phys.

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We present photoluminescence spectra and excited state decay rates of a series of diamondoids, which represent molecular structural analogues to hydrogen-passivated bulk diamond. Specific isomers of the five smallest diamondoids (adamantane-pentamantane) have been brought into the gas phase and irradiated with synchrotron radiation. All investigated compounds show intrinsic photoluminescence in the ultraviolet spectral region. The emission spectra exhibit pronounced vibrational fine structure which is analyzed using quantum chemical calculations. We show that the geometrical relaxation of the first excited state of adamantane, exhibiting Rydberg character, leads to the loss of T d symmetry. The luminescence of adamantane is attributed to a transition from the delocalized first excited state into different vibrational modes of the electronic ground state. Similar geometrical changes of the excited state structure have also been identified in the other investigated diamondoids. The excited state decay rates show a clear dependence on the size of the diamondoid, but are independent of the particle geometry, further indicating a loss of particle symmetry upon electronic excitation.

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Section: Introductionmentioning

confidence: 99%

Size and shape dependent photoluminescence and excited state decay rates of diamondoids

Richter

Wolter

Zimmermann

et al. 2014

Phys. Chem. Chem. Phys.

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“…The (111) face has been elaborated due to the stability, symmetry and importance of this configuration for practical applications [35][36][37][38] . First, we have performed the typical DFT simulations for graphene interacting with Au(111).…”

Section: Theoretical Models Of Graphene/gold Interfacementioning

confidence: 99%

Doping domains in graphene on gold substrates: First-principles and scanning tunneling spectroscopy studies

et al. 2012

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We have studied graphene/gold interface by means of density functional theory (DFT) and scanning tunneling spectroscopy (STS). Weak interaction between graphene and the underlying gold surface leaves unperturbed Dirac cones in the band-structure, but they can be shifted with respect to the Fermi level of the whole system, which results in effective doping of graphene. DFT calculations revealed that the interface is extremely sensitive to the adsorption distance and to the structure of metal's surface, in particular strong variation in doping can be attributed to the specific rearrangments of substrate's atoms, such as change of the crystallographic orientation, relaxation or other modifications of the surface. On the other hand, STS experiments have shown the presence of energetic heterogeneity in terms of the changes in the local density of states (LDOS) measured at different places on the sample. Randomly repeated regions of zero-doping and p-type doping have been identified from parabolic shape characteristics and from well defined Dirac points, respectively. The doping domains of graphene on gold seem to be related to the presence of various types of the surface structure accross the sample. DFT simulations for graphene interacting with Au have shown large differences in doping induced by considered structures of substrate, in agreement with experimental findings. All these results demonstrate the possibility of engineering the electronic properties of graphene, especially tuning the doping across one flake which can be useful for applications of graphene in electronic devices.

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“…This family of compounds is one of the best candidates for self-assembled process in a large number of applications as chemical processes, many applications in nanotechnology as well as in biological and pharmaceutical domains. [1][2][3][4][5][6] Diamondoids have recently acquired great interest owing to their important role in industrial chemicals, in particular, for building up organic crystals with large cavities and useful physical and chemical properties. [7][8][9][10][11][12] The simplest member of the diamondoid group is the adamantane molecule, C 10 H 16 , which is a rigid molecule with point group symmetry T d formed by 10 carbon atoms arranged as a single diamond cage surrounded by 16 hydrogen atoms.…”

Section: Introductionmentioning

confidence: 99%

Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol

Hassine

Négrier

Barrio

et al. 2015

Crystal Growth & Design

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The polymorphism of 1-adamantane-methanol C 11 H 18 O has been investigated by differential thermal analysis and single-crystal and powder X-ray diffraction. Below the melting temperature (389.5 ± 0.4 K), this compound exhibits an orthorhombic phase (Phase I, Pnnm, Z=12, Z'=1.5). The melting enthalpy was determined to be 20.5 ± 0.4 kJ mol −1 , i.e.,with an entropy change of (6.34 ± 0.13)R, which is much higher than the quoted value fromTimmermans for the melting orientationally disordered phases (2.5R), thus supporting the orientationelly ordered character of phase I. This orthorhombic phase I exhibits a statistical disorder of the hydrogen atom related to the oxygen atom, due to the position of one independent molecule on the mirror. At ca. 272 K, phase I transforms continuously through an order-disorder transition to a low-temperature monoclinic phase II (P2 1 /n, Z=12, Z'=3). The monoclinic and orthorhombic phases are related by a group-subgroup relationship, which perfectly agrees with the continuous character of the II to I transition. Moreover, by a convenient choice of an order parameter related to the continuous tilt of the c-axis, the critical exponent for this transition is found to be close to the theoretical prediction of 3D-Ising model (with a critical exponent is of ca. 0.27).

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Spatially resolved electronic and vibronic properties of single diamondoid molecules

Cited by 88 publications

References 29 publications

Size and shape dependent photoluminescence and excited state decay rates of diamondoids

Size and shape dependent photoluminescence and excited state decay rates of diamondoids

Doping domains in graphene on gold substrates: First-principles and scanning tunneling spectroscopy studies

Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol

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