The physical and chemical properties of heteronanotubes

P Ayala, R Arenal, A Loiseau, A Rubio, T Pichler - Reviews of modern physics, 2010 - APS
Carbon nanotubes undoubtedly take a leading position in nanotechnology research owing
to their well-known outstanding structural and electronic properties. Inspired by this, hybrid …

Anomalous doping effects on charge transport in graphene nanoribbons

B Biel, X Blase, F Triozon, S Roche - Physical review letters, 2009 - APS
We present first-principles calculations of quantum transport in chemically doped graphene
nanoribbons with a width of up to 4 nm. The presence of boron and nitrogen impurities is …

Shape-controlled synthesis of Mn3O4 nanocrystals and their catalysis of the degradation of methylene blue

P Zhang, Y Zhan, B Cai, C Hao, J Wang, C Liu, Z Meng… - Nano Research, 2010 - Springer
Various sizes and shapes of Mn 3 O 4 nanocrystals have been prepared in a one-pot
synthesis in extremely dilute solution by soft template self-assembly. To better control size …

The Wigner Monte Carlo method for nanoelectronic devices

D Querlioz, P Dollfus, M Mouis - ISTE Wiley: London, UK, 2010 - Wiley Online Library
For many years, the semi-classical Boltzmann approach to transport in semiconductors has
been very successful in interpreting the physics of electron devices, in a fast evolving …

Introduction to graphene-based nanomaterials: from electronic structure to quantum transport

LEFF Torres, S Roche, JC Charlier - MRS BULLETIN, 2015 - cambridge.org
The electronic structure of rare earths is an important topic (covered in chapter 8), and the
4felectron configuration determines their properties, including magnetic and optical …

Quantum transport in graphene nanoribbons: Effects of edge reconstruction and chemical reactivity

SMM Dubois, A Lopez-Bezanilla, A Cresti, F Triozon… - ACS …, 2010 - ACS Publications
We present first-principles transport calculations of graphene nanoribbons with chemically
reconstructed edge profiles. Depending on the geometry of the defect and the degree of …

Atomistic boron-doped graphene field-effect transistors: a route toward unipolar characteristics

P Marconcini, A Cresti, F Triozon, G Fiori, B Biel… - ACS …, 2012 - ACS Publications
We report fully quantum simulations of realistic models of boron-doped graphene-based
field-effect transistors, including atomistic details based on DFT calculations. We show that …

Phosphorus and phosphorus–nitrogen doped carbon nanotubes for ultrasensitive and selective molecular detection

E Cruz-Silva, F Lopez-Urias, E Munoz-Sandoval… - Nanoscale, 2011 - pubs.rsc.org
A first-principles approach is used to establish that substitutional phosphorus atoms within
carbon nanotubes strongly modify the chemical properties of the surface, thus creating …

Range and correlation effects in edge disordered graphene nanoribbons

A Cresti, S Roche - New Journal of Physics, 2009 - iopscience.iop.org
In this paper, we investigate the impact of edge disorder on the transport properties of
graphene nanoribbons with zigzag and armchair symmetries. The diffusive and localization …

Edge-disorder-dependent transport length scales in graphene nanoribbons: from Klein defects to the superlattice limit

A Cresti, S Roche - Physical Review B—Condensed Matter and Materials …, 2009 - APS
We report a numerical study of quantum transport in zigzag graphene nanoribbons with
varying edge-disorder profile. The transport length scales, such as the elastic mean-free …