First Experimental Evidence for the Formation of the Cyclic Carbon Dioxide Trimer


First-principles investigation of CO and CO2 adsorption on gamma-Al2O3 supported monoatomic and diatomic Pt clusters
Sensoy, Mehmet Gokhan; Toffoli, Hande; Toffolı, Danıele (Elsevier BV, 2020-01-01)
Supported clusters of transition metal atoms are key components of heterogeneous catalysts. Understanding their interaction with small molecular species is therefore an important step in catalyst design. In this work, we provide a detailed first-principles investigation of the adsorption properties of CO and CO2 on Pt-n (n = 1, 2) clusters supported by a gamma-Al2O3 (1 0 0) substrate. In particular, important parameters such as the stability of the Pt clusters, molecular adsorption energies and vibration fr...
First-principles study of GaAs/AlAs nanowire heterostructures
Şenozan, Selma; Tomak, Mehmet; Department of Physics (2012)
Nanowire heterostructures play a crucial role in nanoscale electronics, i.e., one-dimensional electronics derives benefits from the growth of heterostructures along the nanowire axis. We use first-principles plane-wave calculations within density functional theory with the localized density approximation (LDA) to get information about the structural and electronic properties of bare and hydrogen passivated GaAs/AlAs nanowire heterostructures. We also take into account the reconstruction of the nanowire surf...
First-Principles Investigation of NOx and SOx Adsorption on Anatase-Supported BaO and Pt Overlayers
Hummatov, Ruslan; GÜLSEREN, Oğuz; ÖZENSOY, EMRAH; Toffoli, Daniele; Toffoli, Hande (2012-03-15)
We present a density functional theory investigation of the adsorption properties of NO and NO2 as well as SO2 and SO3 on BaO and Pt overlayers on anatase TiO2(001) surface. Mono layers, bilayers, and trilayers of BaO grow without strain-induced large scale reconstructions. While the bilayer and trilayer preserve, to a large extent, the NO2 adsorption characteristics of the clean BaO(100) surface, the effect of the support is evident in SO2 and SO3 adsorption energies, which are somewhat reduced with respec...
First-principles calculations for mechanical and electronic features of strained GaP nanowires
Mohammad, Rezek; Katırcıoğlu, Şenay (World Scientific Pub Co Pte Lt, 2017-03-01)
The mechanical and electronic properties of GaP nanowires are investigated by computing the Young's modulus, Poisson's ratio, energy band gap and effective carrier masses using first-principles calculations based on density functional theory. The wurtzite structural nanowires with diameters upper limited to similar to 27 angstrom are strained by uniaxial strains in the range of -7.5-7.5%. The Young's moduli of nanowires are found to be decreased with increase of the size in the direction of the Young's modu...
First measurement of the cross section for top-quark pair production in proton-proton collisions at root s=7 TeV
Khachatryan, V.; et. al. (Elsevier BV, 2011-01-01)
The first measurement of the cross section for top-quark pair production in pp collisions at the Large Hadron Collider at center-of-mass energy root s = 7 TeV has been performed using a data sample corresponding to an integrated luminosity of 3.1 +/- 0.3 pb(-1) recorded by the CMS detector. This result utilizes the final state with two isolated, highly energetic charged leptons, large missing transverse energy, and two or more jets. Backgrounds from Drell-Yan and non-W/Z boson production are estimated from ...
Citation Formats
T. M. Swager and Ç. Dengiz, “First Experimental Evidence for the Formation of the Cyclic Carbon Dioxide Trimer,” Synfacts, pp. 914–914, 2016, Accessed: 00, 2021. [Online]. Available: