Protomene: A new carbon allotrope

Delodovici, Francesco; Manini, Nicola; Wittman, Richard S.; Choi, Daniel S.; Fahim, Mohamed Al; Burchfield, Larry A.

doi:10.1016/j.carbon.2017.10.069

Cited by 34 publications

(20 citation statements)

References 32 publications

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“…The groundbreaking results achieved on graphene in the last decade have stimulated the interest in novel carbon allotropes and nanostructures [1,2,3,4,5]. Amongst all, the infinite carbon monoatomic wire, i.e., carbyne, represents a carbon allotrope based on sp1 hybridization, which joins graphite and diamond based on sp2 and sp3 hybridization, respectively [6].…”

Section: Introductionmentioning

confidence: 99%

Fingerprints of sp1 Hybridized C in the Near-Edge X-ray Absorption Spectra of Surface-Grown Materials

et al. 2018

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Carbon structures comprising sp1 chains (e.g., polyynes or cumulenes) can be synthesized by exploiting on-surface chemistry and molecular self-assembly of organic precursors, opening to the use of the full experimental and theoretical surface-science toolbox for their characterization. In particular, polarized near-edge X-ray absorption fine structure (NEXAFS) can be used to determine molecular adsorption angles and is here also suggested as a probe to discriminate sp1/sp2 character in the structures. We present an ab initio study of the polarized NEXAFS spectrum of model and real sp1/sp2 materials. Calculations are performed within density functional theory with plane waves and pseudopotentials, and spectra are computed by core-excited C potentials. We evaluate the dichroism in the spectrum for ideal carbynes and highlight the main differences relative to typical sp2 systems. We then consider a mixed polymer alternating sp1 C4 units with sp2 biphenyl groups, recently synthesized on Au(111), as well as other linear structures and two-dimensional networks, pointing out a spectral line shape specifically due to the the presence of linear C chains. Our study suggests that the measurements of polarized NEXAFS spectra could be used to distinctly fingerprint the presence of sp1 hybridization in surface-grown C structures.

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Section: Introductionmentioning

confidence: 99%

Fingerprints of sp1 Hybridized C in the Near-Edge X-ray Absorption Spectra of Surface-Grown Materials

et al. 2018

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“…Luminescence spectra in the region of 350-1150 nm with a resolution of 1.5 nm were recorded by a scanning CCD array spectrograph (QE 65000 OCEAN OPTICS), also controlled by P.C. The temperature of a finely dispersed sample deposited from an alcohol suspension in the form of a thin layer (һ ≤ 100 μm) on a heater substrate could be kept constant with an accuracy of ≤1% or quickly (<10 s) be changed using an electronic controller with the heater current (Delodovici et al, 2017). Atomic oxygen with a flux density of up to j O = 10 14 cm -2 s -1 was obtained by O 2 thermolysis according to the procedure (Brennan, 1967) on a current-heated rhodium (Rh) ribbon measuring 0.015120 mm.…”

Section: Methodsmentioning

confidence: 99%

Luminescence of Α-Willemite in the Catalytic Oxidation of Carbon Monoxide

Shigalugov¹,

Tyurin²,

Dubrov³

et al. 2020

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The interaction of neutral gas particles of thermal energies (molecules and atoms) with the surface of a solid is accompanied by radiation in the visible and I.R. parts of the spectrum. In this case, the surface of a solid body acts as a catalyst for the recombination reactions of gas particles. In this connection, the possibility of exciting luminescence during the catalytic oxidation of carbon monoxide directly by the atomic form of oxygen pre-adsorbed on the surface of a solid is of interest. Kinetic and spectral methods were used to study the luminescence arising from the catalytic oxidation of carbon monoxide by the atomic form of oxygen preadsorbed on the surface of a solid – a sample of α-willemite Zn2SiO4:Mn2+. The main stages in the mechanisms of recombination between adsorbate particles are established. Electronic transitions in adsorption complexes and the activator ion have been identified. During the filling process, the sample temperature was maintained by a constant high-speed electronic control system of the heater current. This made it possible to avoid thermal side effects. The main stages in the mechanisms of recombination between adsorbate particles are established. Electronic transitions in adsorption complexes and the activator ion have been identified. It was found that luminescence excitation proceeds in two main stages, somewhat time-shifted. The two-stage mechanism for the catalytic oxidation of carbon monoxide on the surface of α-willemite with pre-adsorbed atomic oxygen allows a consistent description of the luminescence observed in this case. This type of luminescence has the prospect of using for studying the mechanisms of catalytic oxidation of carbon monoxide.

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“…To obtain the equilibrium conguration and electronic properties of nanoleite, the well-established density functional theory (DFT) is employed. [9][10][11][12][13][14][20][21][22][23][24] Density functionals including the general gradient approximation (GGA) 25 and hybrid functional (HSE06) are used in the Perdew-Burke-Ernzerhof (PBE) formulation, 26 with the norm-conserving PseudoDojo 27 pseudopotential as implemented in the quantum simulation package QuantumATK. 28 The wave functions are expanded on a plain-waves basis with a wave function cut-off of 35 hartree for both of GGA and HSE06, which guarantees the convergence of the total energy of nanoleite structure within 10 À5 hartree.…”

Section: Structure Propertiesmentioning

confidence: 99%

“…Zero-dimensional fullerene, 1 one-dimensional carbon nanotubes (CNTs), 2 and two-dimensional graphene 3 are some of the most common and widely studied allotropic forms of carbon, and have found applications in solar cells, eld-effect transistors, sensors, electromagnetic interference shielding, batteries and supercapacitors. [4][5][6][7][8] Other emerging forms of carbon allotropes, such as D-carbon, 9 T-carbon, 10 penta-graphene, 11 protomene, 12 novamene, 13 and zayedene 14 have been predicted by theorists and some have been conrmed by the experimentalists. Some of the reported carbon allotropes have extraordinary properties, such as ultra-high hardness, 15 direct bandgap, 10 ferromagnetic, 16 and so on, which makes them highly prominent for various applications.…”

Section: Introductionmentioning

confidence: 99%