Nanodiamonds act as Trojan horse for intracellular delivery of metal ions to trigger cytotoxicity

Y Zhu, Y Zhang, G Shi, J Yang, J Zhang, W Li… - Particle and fibre …, 2015 - Springer
Background Nanomaterials hold great promise for applications in the delivery of various
molecules with poor cell penetration, yet its potential for delivery of metal ions is rarely …

Pristine detonation nanodiamonds as regenerable adsorbents for metal cations

DS Volkov, PK Krivoshein, IV Mikheev… - Diamond and Related …, 2020 - Elsevier
The usability of pristine (not functionalized by grafting) detonation nanodiamonds as
reversible and repeatedly regenerated adsorbents for metal cations was shown by …

Size effects of semiempirical large unit cell method in comparison with nanoclusters properties of diamond-structured covalent semiconductors

MA Abdulsattar - Physica E: Low-dimensional Systems and …, 2009 - Elsevier
Self-consistent Hartree–Fock method within the framework of large unit cell (LUC) formalism
using complete neglect of differential overlap (CNDO) is used to simulate size effects on …

Structure dependent quantum confinement effect in hydrogen-terminated nanodiamond clusters

J Jiang, L Sun, B Gao, Z Wu, W Lu, J Yang… - Journal of Applied …, 2010 - pubs.aip.org
Size-dependent quantum confinement effect on electronic structure of hydrogen-terminated
carbon nanodiamond (ND) cluster has been investigated at the hybrid density functional …

Ab initio large unit cell calculations of the electronic structure of diamond nanocrystals

MA Abdulsattar - Solid State Sciences, 2011 - Elsevier
In order to reduce computational efforts, and separate surface and core properties, diamond
nanocrystals in the present model is represented by a heterojunction between the surface …

Surface and size effects on the charge state of NV center in nanodiamonds

W Hu, Z Li, J Yang - Computational and Theoretical Chemistry, 2013 - Elsevier
Electronic structures and stability of nitrogen–vacancy (NV) centers doped in nanodiamonds
(NDs) have been investigated with large-scale density functional theory (DFT) calculations …

Chemical engineering of adamantane by lithium functionalization: A first-principles density functional theory study

A Ranjbar, M Khazaei, NS Venkataramanan, H Lee… - Physical Review B …, 2011 - APS
Using first-principles density functional theory, we investigated the hydrogen storage
capacity of Li-functionalized adamantane. We showed that if one of the acidic hydrogen …

Electronic features of vacancy, nitrogen, and phosphorus defects in nanodiamonds

J Hertkorn, M Fyta - Electronic Structure, 2019 - iopscience.iop.org
Defective nanostructures with a surface termination are the focus of this work. In order to
elucidate the influence of the defect on the properties of nanomaterials, we take hydrogen …

The surface termination effect on the quantum confinement and electron affinities of 3C-SiC quantum dots: a first-principles study

Z Zhang, Y Dai, L Yu, M Guo, B Huang, MH Whangbo - Nanoscale, 2012 - pubs.rsc.org
In light of the established differences between the quantum confinement effect and the
electron affinities between hydrogen-passivated C and Si quantum dots, we carried out …

Self-energy corrected tight binding parameters for few p-block semiconductors in the hybridized atomic orbital basis constructed from first principles

M Hossain, J Bhattacharjee - arxiv preprint arxiv:2106.10639, 2021 - arxiv.org
We present self-energy corrected tight-binging (TB) parameters in the basis of the directed
hybridised atomic orbitals constructed from first principles, for nano-diamonds as well as …