On the mechanism of piezoresistance in nanocrystalline graphite

• Sandeep Kumar,
• Simone Dehm and
• Ralph Krupke

Beilstein J. Nanotechnol. 2024, 15, 376–384, doi:10.3762/bjnano.15.34

• resistance. However, the theoretical modeling shows that the modulation of the transport gap under strain is sensitive to the degree of asymmetry of the grain boundaries. While the symmetric grain boundaries remain metallic in the presence of uniaxial strain, the transport gap of the asymmetric

Recent advances in green carbon dots (2015–2022): synthesis, metal ion sensing, and biological applications

• Aisha Kanwal,
• Naheed Bibi,
• Sajjad Hyder,
• Arif Muhammad,
• Hao Ren,
• Jiangtao Liu and
• Zhongli Lei

Beilstein J. Nanotechnol. 2022, 13, 1068–1107, doi:10.3762/bjnano.13.93

• different carbonization temperatures (200 and 450 °C) were used to prepare CDs, namely C-1 and C-2, respectively, via pyrolysis. To examine the interaction of functional groups present on the CDs with water vapor, theoretical modeling was also carried out by using the DFT-based B3LYP hybrid functional at 6

Molecular dynamics modeling of the influence forming process parameters on the structure and morphology of a superconducting spin valve

• Alexander Vakhrushev,
• Aleksey Fedotov,
• Vladimir Boian,
• Roman Morari and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2020, 11, 1776–1788, doi:10.3762/bjnano.11.160

• properties of S/F nanosystem formation, it would be very useful to develop new integrated methods that combine theoretical modeling and experimental methods for analyzing the formation processes and properties of this class of functional nanomaterials and nanostructures. Here, computer simulation can

Layered double hydroxide/sepiolite hybrid nanoarchitectures for the controlled release of herbicides

• Ediana Paula Rebitski,
• Margarita Darder and
• Pilar Aranda

Beilstein J. Nanotechnol. 2019, 10, 1679–1690, doi:10.3762/bjnano.10.163

• , iii) field-induced material control, iv) new manipulations of atoms and molecules, and v) theoretical modeling and design [1][2]. Based on these premises a large number of nanoarchitectonic materials have been prepared including mesoporous solids, self-organized block-copolymers, supramolecular

Lead-free hybrid perovskites for photovoltaics

• Oleksandr Stroyuk

Beilstein J. Nanotechnol. 2018, 9, 2209–2235, doi:10.3762/bjnano.9.207

Increasing the performance of a superconducting spin valve using a Heusler alloy

• Andrey A. Kamashev,
• Aidar A. Validov,
• Joachim Schumann,
• Vladislav Kataev,
• Bernd Büchner,
• Yakov V. Fominov and
• Ilgiz A. Garifullin

Beilstein J. Nanotechnol. 2018, 9, 1764–1769, doi:10.3762/bjnano.9.167

• present the results of theoretical modeling. Parameters used for fitting of the theory to the experimental results [17]. Supporting Information Supporting Information File 250: Fabrication of the SSV heterostructures. Acknowledgements A. K. gratefully acknowledges the Leibniz - DAAD Fellowship. Ya. F

P3HT:PCBM blend films phase diagram on the base of variable-temperature spectroscopic ellipsometry

• Barbara Hajduk,
• Henryk Bednarski,
• Bożena Jarząbek,
• Henryk Janeczek and
• Paweł Nitschke

Beilstein J. Nanotechnol. 2018, 9, 1108–1115, doi:10.3762/bjnano.9.102

• temperature changes. Characteristic temperatures determined from the slope changes of the Δ(T) plot appeared to be very good guess values for the phase transition temperatures. Keywords: non-linear optics; organic semiconductors; spectroscopic ellipsometry; theoretical modeling; thin films; Introduction The

Refractive index sensing and surface-enhanced Raman spectroscopy using silver–gold layered bimetallic plasmonic crystals

• Somi Kang,
• Sean E. Lehman,
• Matthew V. Schulmerich,
• An-Phong Le,
• Tae-woo Lee,
• Stephen K. Gray,
• Rohit Bhargava and
• Ralph G. Nuzzo

Beilstein J. Nanotechnol. 2017, 8, 2492–2503, doi:10.3762/bjnano.8.249

• theoretical modeling. Finite-difference time-domain modeling FDTD calculations provide theoretical understanding of how the electromagnetic field interacts with the PC [51][52][53]. The transmission spectra of the periodic nanohole arrays in each of the PCs have multiple optical responses, such as localized

• from theoretical modeling. This work demonstrates the feasibility of Ag/Au bimetallic PCs for analytical applications, further establishing that bimetallic systems markedly surpass the quantitative performance of monometallic systems reported previously. With FDTD calculations, the nature of the

The effect of the electrical double layer on hydrodynamic lubrication: a non-monotonic trend with increasing zeta potential

• Dalei Jing,
• Yunlu Pan and
• Xiaoming Wang

Beilstein J. Nanotechnol. 2017, 8, 1515–1522, doi:10.3762/bjnano.8.152

• by the EDL, which is dominated by the non-monotonic electrical field strength and non-monotonic electrical body force on the lubricant. The subject of the paper is the theoretical modeling and the corresponding analysis. Keywords: electrical double layer; electroviscous effect; hydrodynamic

• mechanisms of these issues are analyzed. Theoretical Modeling To analyze the effect of the EDL on the hydrodynamic lubrication, a hydrodynamic lubrication model in a 1D slider bearing with the effect of the EDL is considered. The physical model is shown in Figure 1. For the physical model in Figure 1, when

Effect of Anderson localization on light emission from gold nanoparticle aggregates

• Mohamed H. Abdellatif,
• Marco Salerno,
• Gaser N. Abdelrasoul,
• Ioannis Liakos,
• Alice Scarpellini,
• Sergio Marras and
• Alberto Diaspro

Beilstein J. Nanotechnol. 2016, 7, 2013–2022, doi:10.3762/bjnano.7.192

• ) or on quartz (blue line). a) measured spectra, b) theoretical modeling for 14 nm diameter spherical nanoparticles in the different medium. The shift of the PL peaks with changing excitation wavelength is shown for AuNPs on a) glass and b) quartz substrate and c) in solution. The red line represents

Nonlinear thermoelectric effects in high-field superconductor-ferromagnet tunnel junctions

• Stefan Kolenda,
• Peter Machon,
• Detlef Beckmann and
• Wolfgang Belzig

Beilstein J. Nanotechnol. 2016, 7, 1579–1585, doi:10.3762/bjnano.7.152

• . Our analysis based on a generalized reciprocity relation shows that the generation of the thermoelectric signal is directly related to the cooling power of NIS microrefrigerators [10][11]. Further theoretical modeling shows that for an idealized FIS cooler with P = 100%, the thermodynamic efficiency

Nanoscale rippling on polymer surfaces induced by AFM manipulation

• Mario D’Acunto,
• Franco Dinelli and
• Pasqualantonio Pingue

Beilstein J. Nanotechnol. 2015, 6, 2278–2289, doi:10.3762/bjnano.6.234

• particular it can be exploited in order to pattern films for nanotechnology applications. The review is organized in three sections. The first one is dedicated to the most relevant observations reported in the literature. The second one deals with the theoretical modeling developed in order to interpret this

Large-voltage behavior of charge transport characteristics in nanosystems with weak electron–vibration coupling

• Tomáš Novotný and
• Wolfgang Belzig

Beilstein J. Nanotechnol. 2015, 6, 1853–1859, doi:10.3762/bjnano.6.188

• applied successfully to single-molecule junctions and provides directly their vibrational frequencies from the position of IETS signals [4][7] and, indirectly from the IETS features such as heights of the peaks, also information about electronic and structural properties [8][9]. Theoretical modeling of

Atomic scale interface design and characterisation

• Carla Bittencourt,
• Chris Ewels and
• Arkady V. Krasheninnikov

Beilstein J. Nanotechnol. 2015, 6, 1708–1711, doi:10.3762/bjnano.6.174

• Bittencourt, Chris Ewels and Arkady Krasheninnikov, with the reviews covering key areas of advanced synthesis methods, controlled functionalization and post-processing routes, developments in nanoscale characterization tools as well as theoretical modeling of structure and dynamics, and electronic properties

Materials for sustainable energy production, storage, and conversion

• Maximilian Fichtner

Beilstein J. Nanotechnol. 2015, 6, 1601–1602, doi:10.3762/bjnano.6.163

• on novel systems involving Mg batteries, conversion electrodes based on hydrides, and Na and Li air batteries, respectively. In the fields of fuel cells and batteries, multiscale theoretical modeling is considered to be essential to both understand the structures and energetics of energy materials as

Silicon and germanium nanocrystals: properties and characterization

• Ivana Capan,
• Alexandra Carvalho and
• José Coutinho

Beilstein J. Nanotechnol. 2014, 5, 1787–1794, doi:10.3762/bjnano.5.189

• all-Si optoelectronics. In this respect, theoretical modeling has provided many insights. Besides the size and shape effect to the energy and rate of optical transitions, the chemical nature of the surface, shell or host where the NC is embedded play a critical role [51]. For instance, Guerra and

Micro- and mesoporous solids: From science to application

• Jörg J. Schneider

Beilstein J. Nanotechnol. 2011, 2, 774–775, doi:10.3762/bjnano.2.85

• adsorption sites and dynamics, a theoretical understanding, e.g., employing state of the art theoretical modeling techniques, is certainly necessary. The development of synthetic concepts for the formation of two-dimensional, layered, porous structures, e.g., by swelling and delamination followed by film