01039nas a2200121   4500008004100000245005700041210005700098260000800155520062700163100002000790700001800810856008900828       2015                        eng d00aPartial ionic bonding in homogeneous sodium clusters0 aPartial ionic bonding in homogeneous sodium clusters  cAPR3 a<p>In this work, we report an interesting observation of partial ionic bonding due to charge transfer in homogeneous sodium clusters. The charge transfer causes the electronic charge to accumulate on the surface, and the resulting charges on atoms range between +0.4 to -1.0 |e^-|. We also demonstrate that this disparity among effective charges on atoms is geometry dependent, such that atoms experiencing similar surrounding, have equal effective charge. It is speculated that this phenomenon will occur among other homogeneous clusters as well, and its extent will be defined by the valence electron delocalization.</p>1 aKaware, Vaibhav1 aJoshi, Kavita  uhttps://library.ncl.res.in/content/partial-ionic-bonding-homogeneous-sodium-clusters02541nas a2200229   4500008004100000022001400041245013000055210006900185260011000254300001600364490000600380520161200386100002801998700002002026700002302046700002202069700002302091700001802114700002602132700002402158856012902182       2015                        eng d  a2046-206900aPt-nanoparticle functionalized carbon nano-onions for ultra-high energy supercapacitors and enhanced field emission behaviour0 aPtnanoparticle functionalized carbon nanoonions for ultrahigh en  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP  a80990-809970 v53 a<p>In the present work, we have investigated the charge storage capacitive response and field emission behaviour of platinum (Pt) nanoparticles decorated on carbon nano onions (CNOs) and compared them with those of pristine carbon nano onions. The specific capacitance observed for Pt-CNOs is 342.5 F g(-1), about six times higher than that of pristine CNOs, at a scan rate of 100 mV s(-1). The decoration with Pt nanoparticles, without any binder or polymer separator on the CNO, leading to enhanced supercapacitance is due to easy accessibility of Na2SO4 electrolyte in the active material. The Density Functional Theory (DFT) calculations of these systems reveal enhancement in the Density of States (DOS) near the Fermi energy (E-F) on account of platinum decoration on the CNOs. Furthermore, the field emission current density of similar to 0.63 mA cm(-2) has been achieved from the Pt-CNOs emitter at an applied electric field of similar to 4.5 V mu m(-1) and from the pristine CNOs sample current density of similar to 0.4 mA cm(-2) has been achieved at an applied electric field of similar to 6.6 V mu m(-1). The observed enhanced field emission behavior has been attributed to the improved electrical conductivity and increased emitting sites of the Pt-CNO emitter. The field emission current stability of the Pt-CNO emitter over a longer duration is found to be good. The observed results imply multifunctional potential of Pt-CNOs, as supercapacitor material in various next generation hybrid energy storage devices, and field emitters for next generation vacuum nano/microelectronic devices.</p>1 aSuryawanshi, Sachin, R.1 aKaware, Vaibhav1 aChakravarty, Disha1 aWalke, Pravin, S.1 aMore, Mahendra, A.1 aJoshi, Kavita1 aRout, Chandra, Sekhar1 aLate, Dattatray, J.  uhttps://library.ncl.res.in/content/pt-nanoparticle-functionalized-carbon-nano-onions-ultra-high-energy-supercapacitors-and-0