Zobrazeno 1 - 10
of 92
pro vyhledávání: '"Masoud Darvish Ganji"'
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-15 (2021)
Abstract The characterization of the complexes of biomolecules and nanostructures is highly interesting and benefits the rational development and design of nano-materials and nano-devices in nano-biotechnology. In this work, we have used dispersion c
Externí odkaz:
https://doaj.org/article/8d0c92550add4e48970b569f4279d0d2
Autor:
Masoud Darvish Ganji, Hadis Kiyani
Publikováno v:
Scientific Reports, Vol 9, Iss 1, Pp 1-14 (2019)
Abstract DFT-D3 calculations were carried out to investigate interaction of H2S and CH4 between numerous functionalized CNTs (f-CNTs), including hydroxyl, carboxyl, and cyclodextrin groups as potential candidates for selective adsorption and eliminat
Externí odkaz:
https://doaj.org/article/bc44b550808f454e84793743b48c3eef
Autor:
Roya Ahmadi, Masoud Darvish Ganji
Publikováno v:
International Journal of New Chemistry, Vol 1, Iss 1, Pp 10-21 (2014)
We report a first-principles study of electrical transport in a single molecular conductor consisting of a buthane-dithiol sandwiched between two Au (100) electrodes. We show that the current was increased by increasing of the external voltage biases
Externí odkaz:
https://doaj.org/article/4bd21058533b404e9f27f040c4aa5202
Publikováno v:
Science and Technology of Advanced Materials, Vol 11, Iss 4, p 045001 (2010)
Methane adsorption onto single-wall boron nitride nanotubes (BNNTs) and carbon nanotubes (CNTs) was studied using the density functional theory within the generalized gradient approximation. The structural optimization of several bonding configuratio
Externí odkaz:
https://doaj.org/article/e0d76d915a484ef695ac68a7dc1437fb
Publikováno v:
Fundamentals of Solar Cell Design
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f9fed4f64338c2c66401549ee1dcfb8
https://doi.org/10.1002/9781119725022.ch7
https://doi.org/10.1002/9781119725022.ch7
Publikováno v:
Journal of Physics and Chemistry of Solids. 174:111171
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7eca02a20450aa00a1b571c0999272a1
https://doi.org/10.1016/j.jpcs.2022.111171
https://doi.org/10.1016/j.jpcs.2022.111171
Publikováno v:
Physical Chemistry Chemical Physics. 23:17440-17452
The interaction of a few amino acids (AAs) with the graphene-like magnesium nitride (g-Mg3N2) monolayer has been investigated with density functional theory (DFT) simulations. The Mg site was found to cause significant attraction with the polar activ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cbb5381695d609bced1797db80d09e30
https://doi.org/10.1039/d1cp02891j
https://doi.org/10.1039/d1cp02891j
Publikováno v:
Micro-and Nano-containers for Smart Applications ISBN: 9789811681455
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eff598380a42a8044419e8efd2b496f2
https://doi.org/10.1007/978-981-16-8146-2_12
https://doi.org/10.1007/978-981-16-8146-2_12
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(32)
The interaction of a few amino acids (AAs) with the graphene-like magnesium nitride (g-Mg
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::3fa6af0bf5e6dcc4b145f2e1e63206a1
https://pubmed.ncbi.nlm.nih.gov/34352060
https://pubmed.ncbi.nlm.nih.gov/34352060
Publikováno v:
Journal of molecular modeling. 28(2)
Investigation of complexes of nanostructured materials and biomolecules has attracted much attention by various researchers as it can contribute to coherent growth and extended application of nanostructures in different technologies. In this research
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6eec903c130e82495b27092393ca95df
https://pubmed.ncbi.nlm.nih.gov/35018501
https://pubmed.ncbi.nlm.nih.gov/35018501