We present scanning tunneling microscopy results which reveal the existence of two distinct hydrogen dimer states on graphite basal planes. Density functional theory calculations allow us to identify atomic structure these and determine their recombination desorption pathways. Direct is only possible from one states. This in increased stability species explains puzzling double peak observed temperature programmed spectra for graphite.

On-surface C–C coupling reactions of molecular precursors with alkynyl functional groups demonstrate great potential for the controllable fabrication low-dimensional carbon nanostructures/nanomaterials, such as carbyne, graphyne, and graphdiyne, which demand incorporation highly active sp-hybridized carbons. Recently, through a dehydrogenative homocoupling reaction alkynes, possibility was presented to fabricate surface nanostructures involving acetylenic linkages, while problems lie in fact...

We present scanning tunneling microscopy experiments and density functional theory calculations which reveal a unique mechanism for the formation of hydrogen adsorbate clusters on graphite surfaces. Our results show that diffusion atoms is largely inactive clustering consequence preferential sticking into specific structures. These surprising findings are caused by reduced or even vanishing adsorption barriers in vicinity already adsorbed H surface point to possible novel route interstellar...

An efficient copper-catalyzed approach to quinazolinone derivatives has been developed, and the protocol uses cheap readily available substituted 2-halobenzamides (aryl)methanamines as starting materials well economical environmentally friendly air oxidant. This can be first example of constructing N-heterocycles via sequential Ullmann-type coupling under aerobic oxidative C−H amidation.

On-surface fabrication of covalently interlinked conjugated nanostructures has attracted significant attention, mainly because the high stability and efficient electron transport ability these structures. Here, from interplay scanning tunneling microscopy imaging density functional theory calculations, we report for first time on-surface formation one-dimensional polyphenylene chains through Bergman cyclization followed by radical polymerization on Cu(110). The formed surface were further...

Nonsymmetrical organic molecules adsorbed on solid surfaces may assemble into random networks, thereby providing model systems for glasses that can be directly observed by scanning tunneling microscopy (STM). We investigated the structure of a disordered cytosine network gold(111) surface created thermal quenching, to temperatures below 150 K, two-dimensional fluid present at room temperature. Comparison STM images density functional theory calculations allowed us identify three elementary...

Two novel subphthalocyanines substituted axially with a BODIPY or distyryl moiety have been synthesized. Both systems exhibit highly efficient photoinduced energy transfer process, either from the excited to subphthalocyanine core (for former) unit latter).

A copper-catalyzed domino method for synthesis of quinazolinones has been developed using readily available α-amino acids as the nitrogen-containing motifs. The process underwent Ullmann-type N-arylation, decarboxylation, aerobic oxidation, and intramolecular addition. This should provide a new useful strategy construction N-heterocycles.

Because of stability issues, carbyne, a one-dimensional chain carbon atoms, has been much less investigated than other recent allotropes such as graphene. Beyond that, metalation linear nanostructure with regularly distributed metal atoms is even more challenging. Here we report successful on-surface synthesis metalated carbyne chains by dehydrogenative coupling ethyne molecules and copper on Cu(110) surface under ultrahigh-vacuum conditions. The length the fabricated was found to extend...

Through the interplay of high-resolution scanning tunneling microscopy (STM) imaging/manipulation and density functional theory (DFT) calculations, we have demonstrated that an unprecedented selective aryl-aryl coupling via direct C-H bond activation can be successfully achieved on Cu(110). These findings present a simple generalized route for preparing low dimensional carbon nanomaterials.

On-surface dehalogenative reactions have been promising in the construction of nanostructures with diverse morphologies and intriguing electronic properties, while halogen (X), as main byproduct, often impedes formation extended property characterization, reaction usually requires high C-X activation temperatures, especially on relatively inert Au(111). Enormous efforts precursor design, halogen-to-halide conversion, introduction extrinsic metal atoms devoted to either eliminating...

Cyclo[n]carbons have recently attracted significant attention owing to their geometric and electronic structures remaining largely unexplored in the condensed phase. In this work, we focus on two anti-aromatic cyclocarbons, namely C12 C20. By designing fully halogenated molecular precursors both including 4-numbered rings, further extend on-surface retro-Bergman ring-opening reaction, successfully produce The polyynic of C20 are unambiguously revealed by bond-resolved atomic force...

Expect the unexpected: The interaction between cyanuric acid (CA) and melamine (M) molecules is a key structural motif in supramolecular chemistry. adsorption coadsorption of M CA on Au(111) surface under ultrahigh vacuum (UHV) investigated using STM with submolecular resolution (see image). In addition to expected structure 1:1 CA/M ratio, novel phase 1:3 forms upon sequential deposition. Supporting information for this article available WWW...

STM manipulation is used to directly probe the hierarchy of bond-strengths involved in self-assembly multifunctional molecules, which can thus be help identify particular features molecular architecture observed images (see picture).

Abstract Two molecular phases of the DNA base adenine (A) on a Au(111) surface are observed by using STM under ultrahigh‐vacuum conditions. One these is reported for first time. A systematic approach that considers all possible gas‐phase two‐dimensional arrangements molecules connected double hydrogen bonds with each other and subsequent ab initio DFT calculations used to characterize identify two phases. The influence gold structure assemblies also discussed. found predict smooth...

Scaffolded DNA origami has recently emerged as a versatile, programmable method to fold into arbitrarily shaped nanostructures that are spatially addressable, with sub-10-nm resolution. Toward functional nanotechnology, one of the key challenges is integrate bottom-up self-assembly top-down lithographic methods used generate surface patterning. In this report we demonstrate fixed length nanotubes, modified multiple thiol groups near both ends, can be connect patterned gold islands (tens...

Through a careful design of the molecular precursor we have successfully constructed metal-organic Sierpiński triangles on Au(111) via on-surface coordination chemistry, which is demonstrated by interplay high-resolution STM imaging and DFT calculations. The show high stabilities as evidenced room temperature imaging, could withstand thermal treatment up to 450 K.

In addition to the choices of metal atoms/molecular linkers and surfaces, several crucial parameters, including surface temperature, molecular stoichiometric ratio, electrical stimulation, concentration, solvent effect for liquid/solid interfaces, have been demonstrated play key roles in formation on-surface self-assembled supramolecular architectures. Moreover, structural transformations frequently occur response a delicate control over those which, most cases, involve either conversions...

Abstract Homocouplings of hydrocarbon groups including alkynyl (sp 1 ), alkyl 3 and aryl 2 ) have recently been investigated on surfaces with the interest fabricating novel carbon nanostructures/nanomaterials getting fundamental understanding. Investigated herein is on‐surface homocoupling an alkenyl group which last elementary unit hydrocarbons. Through real‐space direct visualization (scanning tunneling microscopy imaging) density functional theory calculations, two terminal were found to...

In this study, by using density functional theory, we have theoretically investigated the electronic and magnetic properties of x-substituted hAs (x = B, C, N, O, Ga, Ge, Se, monovacancy) x-adsorbed As).

To explore the true identity of palladium-catalyzed Sonogashira coupling reaction, montmorillonite (MMT)-supported transition metal nanoparticles (MMT@M, M = Pd, Cu, Fe, and Ni) were prepared, characterized, evaluated systematically. Among all MMT@M catalysts, MMT@Pd/Cu showed highest activity, it was successfully extended to 20 examples with 57%–97% yields. The morphology characterization revealed that crystalline bimetallic particles dispersed on a MMT layer as nanoalloy diameters ranged...

Abstract On‐surface synthesis shows significant potential in constructing novel nanostructures/nanomaterials, which has been intensely studied recent years. The formation of acetylenic scaffolds provides an important route to the fabrication emerging carbon nanostructures, including carbyne, graphyne, and graphdiyne, feature chemically vulnerable sp‐hybridized atoms. Herein, we designed synthesized a tribromomethyl‐substituted compound. By using combination high‐resolution scanning tunneling...