Chaudhuri<i>et al.</i>Reply:

Chaudhuri, Amala; Lerotholi, T. J.; Jackson, D. C.; Woodruff, D.P.; Dhanak, Vin

doi:10.1103/physrevlett.103.119602

Cited by 42 publications

(107 citation statements)

References 5 publications

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“…The MeS-Au-MeS model includes three types of Au atoms. An agreement with experimental data [27][28][29] is obtained as one set of the atoms have a zero SCLSs. It should be noted that the ratio of the intensity between surface and bulk components ͑S + T : B͒ in the photoemission signal has been measured to decrease upon monolayer formation, 29 which indicates that Au atoms at the surface exist with negligible surface core-level shifts.…”

Section: Resultssupporting

confidence: 75%

“…36 The SCLSs for clean Au͑111͒ has been measured to be −0.31 eV in a high-resolution study 37 and lately to be −0.34 eV. 27 The calculated value is close to the measurements and demonstrates the accuracy of the applied methodology. The shifts for the adatoms are about −1 eV.…”

Section: Resultsmentioning

confidence: 53%

“…On the basis of the relative S : T intensities ͑3:1͒, it was put forth that the experiments support the RSAu model; 6 there are one adatom for every three atoms in the first unreconstructed surface layer. Whereas the use of intensities for conclusions regarding surface composition is ambiguous, 29,30 the energies of the surface core-level shifts ͑SCLSs͒ could provide fingerprints. In fact, SCLSs have been used extensively to resolve complex structures, see, e.g., Ref.…”

Section: Introductionmentioning

confidence: 99%

“…27,28 For the clean Au͑111͒ surface, deconvolution of the emission signal shows a surface component at −0.34 eV with respect to the bulk component. After MeS adsorption, a good fit was achieved by deconvolution into three components.…”

Section: Introductionmentioning

confidence: 99%

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Photoemission core-level shifts reveal the thiolate-Au(111) interface

Grönbeck

Odelius

2010

Phys. Rev. B

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Section: Resultssupporting

confidence: 75%

Section: Resultsmentioning

confidence: 53%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Photoemission core-level shifts reveal the thiolate-Au(111) interface

Grönbeck

Odelius

2010

Phys. Rev. B

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“…The dependence of the Au-4f binding energy on the nature of the surrounding ligands was previously reported. [30][31][32] A detailed peak-shape analysis of thiolate-passivated Au nanoparticles carried out by Tanaka and co-workers showed that Au(4f 7/2 ) peaks are indeed composed of two components, one with lower binding energy originating from inner Au atoms and the other with relatively high binding energy arising from surface Au atoms linked to thiol molecules. 30 The 4f 7/2 binding energy of the surface Au atoms is generally higher in energy, since electron donation from surface Au atoms to the thiolate ligand occurs (initial-state effect).…”

Section: Synthesis Of Bare Auncmentioning

confidence: 99%

A facile one-pot synthesis of blue and red luminescent thiol stabilized gold nanoclusters: a thorough optical and microscopy study

Pal

Kryschi

2015

Phys. Chem. Chem. Phys.

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Here in this contribution, blue and red luminescent 1-dodecanethiol (DT) terminated gold nanoclusters (AuNC) were prepared by a simple two-step synthesis route where the first step involved the surfactantfree synthesis of bare AuNC in N,N 0 -dimethylformamide (DMF) and the second step is the termination of the as-prepared bare AuNC by 1-dodecanethiol. The blue and red luminescent DT-terminated AuNC were isolated by a solvent-induced precipitation followed by an ultra-centrifugation technique. Both the bare AuNC and the blue and red luminescent DT-terminated AuNC exhibit stable photoluminescence and good solubility in various solvents. The photo-physical, electronic, structural, and morphological properties of the bare AuNC and the blue and red luminescent DT-terminated AuNC were examined by performing UV-Vis absorption spectroscopy, stationary and time-resolved PL spectroscopy, X-ray photoelectron spectroscopy (XPS), femtosecond transient absorption spectroscopy, Fourier-transform infrared spectroscopy (FTIR-ATR), and high-resolution transmission electron microscopy (HRTEM) experiments.

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Modeling the Electronic Properties of π‐Conjugated Self‐Assembled Monolayers

2010

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The modification of electrode surfaces by depositing self-assembled monolayers (SAMs) provides the possibility for controlled adjustment of various key parameters in organic and molecular electronic devices. Most important among them are the work function of the electrode and the relative alignment of its Fermi level with the conducting states in the SAM itself and with those in a subsequently deposited organic semiconductor. For the efficient application of such interface modifications it is crucial to reach a proper understanding of the relation between the chemical structure of a molecule, its molecular electronic characteristics, and the properties of the SAM formed by such molecules. Over the past years, quantum-mechanical calculations have proven to be a valuable tool for reaching a fundamental understanding of the relevant structure-property relations. Here, we provide a review over the field and report on recent progress in the modeling of the interfacial electronic properties of pi-conjugated SAMs. In addition to the insight that can be gained from simple electrostatic considerations, we focus on the quantum-mechanical description of the roles played by substituents, molecular backbones, chemical anchoring groups, and the packing density of molecules on the surface. Furthermore, we explicitly address the energy-level alignment at the interface between a prototypical organic semiconductor and a SAM-covered metal electrode and describe an approach suitable for extending the metallic character of the substrate onto the monolayer.

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Chaudhuriet al.Reply:

Cited by 42 publications

References 5 publications

Photoemission core-level shifts reveal the thiolate-Au(111) interface

Photoemission core-level shifts reveal the thiolate-Au(111) interface

A facile one-pot synthesis of blue and red luminescent thiol stabilized gold nanoclusters: a thorough optical and microscopy study

Modeling the Electronic Properties of π‐Conjugated Self‐Assembled Monolayers

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