Related papers: First principles study of Li intercalated carbon n…
Graphite, the standard commercial anode for Li-ion batteries, is thermodynamically incompatible with Na-ion batteries, leading researchers to search for alternative C-based structures (e.g., hard carbon, expanded graphite). In a simplified…
We report measurements on ropes of Single Walled Carbon Nanotubes (SWNT) in low-resistance contact to non-superconducting (normal) metallic pads, at low voltage and at temperatures down to 70 mK. In one sample, we find a two order of…
The market quest for fast-charging, safe, long-lasting and performant batteries drives the exploration of new energy storage materials, but also promotes fundamental investigations of materials already widely used. Presently, revamped…
We investigate the structural and electronic properties of Li-intercalated monolayer graphene on SiC(0001) using combined angle-resolved photoemission spectroscopy and first-principles density functional theory. Li intercalates at room…
Recent experimental and theoretical results on intrinsic superconductivity in ropes of single-wall carbon nanotubes are reviewed and compared. We find strong experimental evidence for superconductivity when the distance between the normal…
Downsizing well-established materials to the nanoscale is a key route to novel functionalities, in particular if different functionalities are merged in hybrid nanomaterials. Hybrid carbon-based hierarchical nanostructures are particularly…
As a storage material for Li-ion batteries, graphene/molybdenum disulfide (Gr/MoS2) composites have been intensively studied in experiments. But the relevant theoretical works from first-principles are lacking. In the current work,…
Modeling layered intercalation compounds from first principles poses a problem, as many of their properties are determined by a subtle balance between van der Waals interactions and chemical or Madelung terms, and a good description of van…
We briefly review the status of the application of carbon nanotubes (CNTs) for future interconnects and present results concerning possible integration schemes. Growth of single nanotubes at lithographically defined locations (vias) has…
Silicon is viewed as an excellent electrode material for lithium batteries due to its high lithium storage capacity. Various Si nano-structures, such as Si nanowires, have performed well as lithium battery anodes and have opened up exciting…
We characterize the response of isolated single- (SWNT) and multi-wall (MWNT) carbon nanotubes and bundles to static electric fields using first-principles calculations and density-functional theory. The longitudinal polarizability of SWNTs…
Carbon nanotubes have emerged as a possible new material for electronic applications. They show promising characteristics for transistors as well as for interconnects. Here we review their basic properties and focus on the status of…
Doping lithium-ion battery electrode materials LiMO$_2$ (M = Co, Ni, Mn) with impurities has been shown to be an effective way to optimize their electrochemical properties. Here, we report a detailed first-principles study of layered oxides…
Various bandstructure engineering methods have been studied to improve the performance of graphitic transparent conductors; however none demonstrated an increase of optical transmittance in the visible range. Here we measure in situ optical…
The charge transport properties of single superconducting tin nanowires, encapsulated by multiwalled carbon nanotubes have been investigated by multi-probe measurements. The multiwalled carbon nanotube protects the tin nanowire from…
We present first-principles calculations of phase coherent electron transport in a carbon nanotube (CNT) with realistic contacts. We focus on the zero-bias response of open metallic CNT's considering two archetypal contact geometries (end…
By means of Density Functional Theory calculations we evaluate several lithium carbonate - graphite interface models as a prototype of the Solid Electrolyte Interphase capping layer on graphite anodes in lithium-ion batteries. It is found…
Single walled carbon nanotubes (SWNT) have displayed a wealth of quantum transport phenomena thus far. Defect free, unperturbed SWNTs with wellbehaved or tunable metal contacts are important to probing the intrinsic electrical properties of…
This work represents the first electro-thermal study of metallic single-wall carbon nanotubes (SWNTs) for interconnect applications. Experimental data and careful modeling reveal that self-heating is of significance in short (1 < L < 10 um)…
We have studied the electronic structure and charge-carrier dynamics of individual single-wall carbon nanotubes (SWNTs) and nanotube ropes using optical and electron-spectroscopic techniques. The electronic structure of semiconducting SWNTs…