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The local structure and chemical bonding in two-phase amorphous Cr$_{1-x}$C$_{x}$ nanocomposite thin films are investigated by Cr $K$-edge ($1s$) X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure…

Materials Science · Physics 2016-11-28 Weine Olovsson , Björn Alling , Martin Magnuson

The electronic structure of the conjugated polymer, polyaniline, has been studied by resonant and nonresonant X-ray emission spectroscopy using synchrotron radiation for the excitation. The measurements were made on polyaniline and a few…

Materials Science · Physics 2012-01-05 M. Magnuson , J. -H. Guo , S. M. Butorin , A. Agui , C. Såthe , J. Nordgren , A. P. Monkman

Core level binding energies and absorption edges are at the heart of many experimental techniques concerned with element-specific structure, electronic structure, chemical reactivity, elementary excitations and magnetism. X-ray…

Crystal structure prediction methods and first-principles calculations have been used to explore low-energy structures of carbon monoxide (CO). Contrary to the standard wisdom, the most stable structure of CO at ambient pressure was found…

Materials Science · Physics 2017-04-06 Kang Xia , Jian Sun , Chris J. Pickard , Dennis D. Klug , Richard J. Needs

The electronic structures and properties of 2-oxazolidinone and the related compound cycloserine (CS) have been investigated using core and valence photoelectron spectroscopy and theoretical calculations. Isomerization of the central…

Chemical Physics · Physics 2015-06-16 Marawan Ahmed , Feng Wang , Robert G. Acres , Kevin C. Prince

Cyclocarbon molecules are critical in understanding the carbon structure formation and the nature of the interaction between carbon atoms. In cyclocarbons, light elements such as H, O and N may interplay with rings to form doped cyclocarbon…

Mesoscale and Nanoscale Physics · Physics 2023-10-31 Liujia Min , Aigen Li , Xianghong Chen , Yonghui Li

X-ray Transient Absorption Spectroscopy near the carbon K-edge (1s, $\sim$ 285 eV) and chlorine L$_{2,3}$ edges (2p, $\sim$ 200 eV) is used to study the nuclear dynamics of CCl$_4$ vibrationally activated by impulsive stimulated Raman…

Electronic spectra of C$_6$H are measured in the $18\,950-21\,100$ cm$^{-1}$ domain using cavity ring-down spectroscopy of a supersonically expanding hydrocarbon plasma. In total, 19 (sub)bands of C$_6$H are presented, all probing the…

Chemical Physics · Physics 2016-08-03 Xavier Bacalla , Edcel J. Salumbides , Harold Linnartz , Wim Ubachs , Dongfeng Zhao

A ring-shaped carbon allotrope was recently synthesized for the first time, reinvigorating theoretical interest in this class of molecules. The dual $\pi$ structure of these molecules allows for the possibility of novel electronic…

Chemical Physics · Physics 2021-04-01 Alexandra E Raeber , David A Mazziotti

The optical absorption spectra of cyclo[n]carbons (n=10, 14, 18) are investigated in the framework of time-dependent density functional theory. The collective plasmon excitations well develop as the increases of the ring size and the…

Atomic and Molecular Clusters · Physics 2024-04-01 Xuhai Hong , Lang Su , Jie Li

We analyzed the X-ray photoemission spectra (XPS) of carbon 1s states in graphene and oxygen-intercalated graphene grown on SiC(0001) using Bayesian spectroscopy. To realize highly accurate spectral decomposition of the XPS spectra, we…

We present a novel method for measuring the lags of (weak) variability components in neutron-star and black-hole low-mass X-ray binaries (LMXBs). For this we assume that the power and cross spectra of these sources consists of a number of…

High Energy Astrophysical Phenomena · Physics 2023-12-07 Mariano Mendez , Valentina Peirano , Federico Garcia , Tomaso M. Belloni , Diego Altamirano , Kevin Alabarta

There exist two types of structural instability in polyacene: double bonds in a cis pattern and those in a trans pattern. They are isoenergetic but spectroscopically distinct. We demonstrate optical characterization and manipulation of…

Strongly Correlated Electrons · Physics 2015-05-28 Shoji Yamamoto

We use density functional theory based first-principles method to investigate the bandstructure and phase stability in the laterally grown hexagonal C$_x$(BN)$_{1-x}$, two-dimensional Graphene and $h$-BN hybrid nanomaterials, which were…

Mesoscale and Nanoscale Physics · Physics 2016-03-21 Ransell D'Souza , Sugata Mukherjee

The electronic structure of short-chain thiophenes (thiophene, 2,2'-bithiophene and 2,2':5',2'-terthiophene) in the gas phase has been investigated by combining the outcomes of Near-Edge X-ray-Absorption Fine-Structure (NEXAFS) and X-ray…

Accurate simulations of transient X-ray photoelectron spectra (XPS) provide unique opportunities to bridge the gap between theory and experiment in understanding the photoactivated dynamics in molecules and materials. However, simulating…

Chemical Physics · Physics 2024-06-19 Nicholas P. Gaba , Carlos E. V. de Moura , Rajat Majumder , Alexander Yu. Sokolov

We present the first measurements of cyclotron resonance of electrons and holes in bilayer graphene. In magnetic fields up to B = 18 T we observe four distinct intraband transitions in both the conduction and valence bands. The transition…

Mesoscale and Nanoscale Physics · Physics 2008-05-21 E. A. Henriksen , Z. Jiang , L. -C. Tung , M. E. Schwartz , M. Takita , Y. -J. Wang , P. Kim , H. L. Stormer

The infrared spectrum of the weakly-bound CO2-Xe complex is studied in the region of the carbon dioxide nu3 fundamental vibration (~2350 cm-1), using a tunable OPO laser source to probe a pulsed supersonic slit jet expansion. The Xe isotope…

Atomic and Molecular Clusters · Physics 2021-06-30 A. J. Barclay , A. R. W. McKellar , Colin M. Western , N. Moazzen-Ahmadi

The recurrent hard pulsating X-ray transient \S was observed with \B on March 19, when the source was at a 2--10 keV flux level of $\sim$310~mCrab. We report on the high energy spectrum of the source, concentrating on cyclotron resonant…

A detailed study of poly-[Ni(Salen)] polymer in its oxidized (Ox) and reduced (Red) states was conducted using X-ray photoelectron (XPS) and ultraviolet photoemission (UV PES) spectroscopy, near-edge X-ray absorption fine structure (NEXAFS)…

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