We report an advanced lithium-ion battery based on a graphene ink anode and a lithium iron phosphate cathode. By carefully balancing the cell composition and suppressing the initial irreversible capacity of the anode in the round of few cycles, we demonstrate an optimal battery performance in terms of specific capacity, that is, 165 mAhg(-1), of an estimated energy density of about 190 Wh kg(-1) and a stable operation for over 80 charge-discharge cycles. The components of the battery are low cost and potentially scalable. To the best of our knowledge, complete, graphene-based, lithium ion batteries having performances comparable with those offered by the present technology are rarely reported; hence, we believe that the results disclosed in this work may open up new opportunities for exploiting graphene in the lithium-ion battery science and development.

By combining experimental and theoretical approaches, we study the adsorption of pentacene on copper as a model for the coupling between aromatic molecules and metal surfaces. Our results for the interface electronic structure are not compatible with a purely physisorption picture, which is conventionally employed for such systems. Nay, we demonstrate electronic mixing between molecular orbitals and metal electronic states.

The PTOLEMY project aims to develop a scalable design for a Cosmic Neutrino Background (CNB) detector, the first of its kind and the only one conceived that can look directly at the image of the Universe encoded in neutrino background produced in the first second after the Big Bang. The scope of the work for the next three years is to complete the conceptual design of this detector and to validate with direct measurements that the nonneutrino backgrounds are below the expected cosmological signal. In this paper we discuss in details the theoretical aspects of the experiment and its physics goals. In particular, we mainly address three issues. First we discuss the sensitivity of PTOLEMY to the standard neutrino mass scale. We then study the perspectives of the experiment to detect the CNB via neutrino capture on tritium as a function of the neutrino mass scale and the energy resolution of the apparatus. Finally, we consider an extra sterile neutrino with mass in the eV range, coupled to the active states via oscillations, which has been advocated in view of neutrino oscillation anomalies. This extra state would contribute to the tritium decay spectrum, and its properties, mass and mixing angle, could be studied by analyzing the features in the beta decay electron spectrum.

Iron and cobalt phthalocyanines assemble on the Au(110) surface lying parallel to the surface, as deduced by near-edge X-ray absorption fine structure (NEXAFS) taken with linearly polarized radiation at the C and N K edges. The molecular chains, firmly anchored to the underlying metal surface, arrange into long-range ordered rows with a (5 × 3) symmetry along the [001] azimuthal direction at completion of the first single layer. The interaction process is mainly determined by the d orbitals associated with the central Fe and Co atoms, as observed by valence band photoemission and NEXAFS at the Fe and Co L 2,3 edges. The spin and orbital configuration of the FePc and CoPc molecules is strongly influenced by the interface with a charge transfer from the underlying metal to the out-of-plane empty states located at the Fe and Co centers of the molecules. This interaction process induces electronic states located at the interface, localized on the central metal atoms and close to the Fermi level (0.2 eV binding energy for FePc and 0.7 eV for CoPc) without energy dispersion, as deduced by angular-resolved photoemission. On the contrary, a delocalized state has been observed with dispersion along the molecular chains, mainly due to the overlapping of the π charge of the macrocycles ligands mediated by the Au substrate.

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Scanning tunneling microscopy and X-ray spectroscopy measurements are combined to first-principles simulations to investigate the formation of graphene nanoribbons (GNRs) on Au(110), as based on the surface-mediated reaction of 10,10′-dibromo-9,9′-bianthracene (DBBA) molecules. At variance with Au(111), two different pathways are identified for the GNR self-assembly on Au(110), as controlled by both the adsorption temperature and the surface coverage of the DBBA molecular precursors. Room-temperature DBBA deposition on Au(110) leads to the same reaction steps obtained on Au(111), even though with lower activation temperatures. For DBBA deposition at 470 K, the cyclodehydrogenation of the precursors preceds their polymerization, and the GNR formation is fostered by increasing the surface coverage. While the initial stages of the reaction are found to crucially determine the final configuration and orientation of the GNRs, the molecular diffusion is found to limit in both cases the formation of high-density long-range ordered GNRs. Overall, the direct comparison between the Au(110) and Au(111) surfaces unveils the delicate interplay among the different factors driving the growth of GNRs

The C K-edge photoabsorption and 1s core-level photoemission of pentacene (C22H14) free molecules are experimentally measured, and calculated by self-consistent-field and static-exchange approximation ab initio methods. Six nonequivalent C atoms present in the molecule contribute to the C 1s photoemission spectrum. The complex near-edge structures of the carbon K-edge absorption spectrum present two main groups of discrete transitions between 283 and 288 eV photon energy, due to absorption to pi* virtual orbitals, and broader structures at higher energy, involving sigma* virtual orbitals. The sharp absorption structures to the pi* empty orbitals lay well below the thresholds for the C 1s ionizations, caused by strong excitonic and localization effects. We can definitely explain the C K-edge absorption spectrum as due to both final (virtual) and initial (core) orbital effects, mainly involving excitations to the two lowest-unoccupied molecular orbitals of pi* symmetry, from the six chemically shifted C 1s core orbitals.

The spin and orbital configuration of magnetic metal phthalocyanines (MPcs) deposited on metallic substrates are strongly influenced by the rehybridization of the molecular states with the underlying metal. FePc, CoPc, and CuPc isolated molecules are archetypal systems to investigate the interrelationship between magnetic moments and orbital symmetry after deposition on a metallic substrate. MPcs form long-range ordered chains self-assembled along the reconstructed channels of the Au(110) surface. X-ray magnetic circular dichroism from the L-2,L-3 absorption edges of Fe, Co, and Cu shows that the orbital and spin configuration are strongly modified upon adsorption on the Au(110) surface if the orbitals responsible of the magnetic moment are involved in the interaction process. The magnetic moment for a single layer of molecular chains is completely quenched for the CoPc molecules, fully preserved for the CuPc and reduced for the FePc ones. The modified magnetic configuration is confined to the very interface layer, i.e., to the MPc molecules bound to the metal substrate up to the compact packing of the single layer. The different response can be rationalized in terms of the symmetry/orientation of the metal-ion d states interacting with the substrate states, as indicated by density functional theory calculations in agreement with experimental findings. DOI: 10.1103/PhysRevB.87.16540