Effects of B and N doping/codoping on the adsorption behavior of C60 fullerene towards aspirin: A DFT investigation

2021 ◽  
Vol 342 ◽  
pp. 117459
Author(s):  
Fateme Nattagh ◽  
Sharieh Hosseini ◽  
Mehdi D. Esrafili
2003 ◽  
Vol 381 (3-4) ◽  
pp. 255-261 ◽  
Author(s):  
Yan Fang ◽  
Qun-Jian Huang ◽  
Peijie Wang ◽  
Xiao-Yuan Li ◽  
Nai-Teng Yu

2020 ◽  
Vol 65 (2) ◽  
pp. 119-133
Author(s):  
Nesrimne SEDIIKI ◽  
◽  
Djamel ALIOUCHE ◽  
Imene BOUDHENE ◽  
◽  
...  

2013 ◽  
Vol 30 (5) ◽  
pp. 522-526
Author(s):  
LIMONTA Miladys ◽  
ZUMALACARREGUI Lourdes ◽  
SOLER Dayana

2017 ◽  
Vol 13 (2) ◽  
pp. 159-166 ◽  
Author(s):  
Linshan Wang ◽  
Cholhwan Kim ◽  
Zefei Zhang ◽  
Qili Hu ◽  
Ting Sun ◽  
...  

Nanomaterials ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 507
Author(s):  
Luca Seravalli ◽  
Claudio Ferrari ◽  
Matteo Bosi

In this paper, we model the electrical properties of germanium nanowires with a particular focus on physical mechanisms of electrical molecular sensing. We use the Tibercad software to solve the drift-diffusion equations in 3D and we validate the model against experimental data, considering a p-doped nanowire with surface traps. We simulate three different types of interactions: (1) Passivation of surface traps; (2) Additional surface charges; (3) Charge transfer from molecules to nanowires. By analyzing simulated I–V characteristics, we observe that: (i) the largest change in current occurs with negative charges on the surfaces; (ii) charge transfer provides relevant current changes only for very high values of additional doping; (iii) for certain values of additional n-doping ambipolar currents could be obtained. The results of these simulations highlight the complexity of the molecular sensing mechanism in nanowires, that depends not only on the NW parameters but also on the properties of the molecules. We expect that these findings will be valuable to extend the knowledge of molecular sensing by germanium nanowires, a fundamental step to develop novel sensors based on these nanostructures.


Author(s):  
Long Yao ◽  
Shunlong Ju ◽  
Xuebin Yu

Rechargeable aluminum batteries (RABs) based on multivalent ions transfer have attracted great attention due to their large specific capacities, natural abundance, and high safety of metallic Al anode. However, the...


Polymers ◽  
2021 ◽  
Vol 13 (10) ◽  
pp. 1640
Author(s):  
Massimiliano Lanzi ◽  
Debora Quadretti ◽  
Martina Marinelli ◽  
Yasamin Ziai ◽  
Elisabetta Salatelli ◽  
...  

A new side-chain C60-fullerene functionalized thiophene copolymer bearing tributylphosphine-substituted hexylic lateral groups was successfully synthesized by means of a fast and effective post-polymerization reaction on a regioregular ω-alkylbrominated polymeric precursor. The growth of the polymeric intermediate was followed by NMR spectrometry in order to determine the most convenient reaction time. The obtained copolymer was soluble in water and polar solvents and was used as a photoactive layer in single-material organic photovoltaic (OPV) solar cells. The copolymer photovoltaic efficiency was compared with that of an OPV cell containing a water-soluble polythiophenic homopolymer, functionalized with the same tributylphosphine-substituted hexylic side chains, in a blend with a water-soluble C60-fullerene derivative. The use of a water-soluble double-cable copolymer made it possible to enhance the control on the nanomorphology of the active blend, thus reducing phase-segregation phenomena, as well as the macroscale separation between the electron acceptor and donor components. Indeed, the power conversion efficiency of OPV cells based on a single material was higher than that obtained with the classical architecture, involving the presence of two distinct ED and EA materials (PCE: 3.11% vs. 2.29%, respectively). Moreover, the synthetic procedure adopted to obtain single material-based cells is more straightforward and easier than that used for the preparation of the homopolymer-based BHJ solar cell, thus making it possible to completely avoid the long synthetic pathway which is required to prepare water-soluble fullerene derivatives.


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