Imperfections are not 0 K: free energy of point defects in crystals

I Mosquera-Lois, SR Kavanagh, J Klarbring… - Chemical Society …, 2023 - pubs.rsc.org
Defects determine many important properties and applications of materials, ranging from
doping in semiconductors, to conductivity in mixed ionic–electronic conductors used in …

Carbon black reborn: Structure and chemistry for renewable energy harnessing

S Khodabakhshi, PF Fulvio, E Andreoli - Carbon, 2020 - Elsevier
Carbon Black (CB) is one of the most abundantly produced carbon nanostructured
materials, and approximately 70% of it is used as pigment and as reinforcing phase in …

Structural defects in graphene

F Banhart, J Kotakoski, AV Krasheninnikov - ACS nano, 2011 - ACS Publications
Graphene is one of the most promising materials in nanotechnology. The electronic and
mechanical properties of graphene samples with high perfection of the atomic lattice are …

Emergence of magnetism in graphene materials and nanostructures

OV Yazyev - Reports on Progress in Physics, 2010 - iopscience.iop.org
Magnetic materials and nanostructures based on carbon offer unique opportunities for future
technological applications such as spintronics. This paper reviews graphene-derived …

[HTML][HTML] Ion and electron irradiation-induced effects in nanostructured materials

AV Krasheninnikov, K Nordlund - Journal of applied physics, 2010 - pubs.aip.org
A common misconception is that the irradiation of solids with energetic electrons and ions
has exclusively detrimental effects on the properties of target materials. In addition to the …

A review on lattice defects in graphene: types, generation, effects and regulation

W Tian, W Li, W Yu, X Liu - Micromachines, 2017 - mdpi.com
Graphene, having a perfect two-dimensional crystal structure, has many excellent features
such as a high specific surface area, and extraordinary electrical, thermal and mechanical …

Direct evidence for atomic defects in graphene layers

A Hashimoto, K Suenaga, A Gloter, K Urita, S Iijima - nature, 2004 - nature.com
Atomic-scale defects in graphene layers alter the physical and chemical properties of carbon
nanostructures,. Theoretical predictions have recently shown that energetic particles such as …

Chemical remodelling of cell surfaces in living animals

JA Prescher, DH Dube, CR Bertozzi - Nature, 2004 - nature.com
Cell surfaces are endowed with biological functionality designed to mediate extracellular
communication. The cell-surface repertoire can be expanded to include abiotic functionality …

Diffusion, coalescence, and reconstruction of vacancy defects in graphene layers

GD Lee, CZ Wang, E Yoon, NM Hwang, DY Kim… - Physical review …, 2005 - APS
Diffusion, coalescence, and reconstruction of vacancy defects in graphene layers are
investigated by tight-binding molecular dynamics (TBMD) simulations and by first principles …

Defect energies of graphite: Density-functional calculations

L Li, S Reich, J Robertson - Physical Review B—Condensed Matter and …, 2005 - APS
The energies of point defects in graphite have been calculated from first principles. The
various interplane interstitial configurations are found to have a wider range of energies than …