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N-Type conductive small molecule assisted 23.5% efficient inverted perovskite solar cells
, Article Advanced Energy Materials ; Volume 12, Issue 34 , 2022 ; 16146832 (ISSN) ; Li, Y ; Zhang, Y ; Zhao, J ; Wang, T ; Yang, B ; Pu, X ; Yang, J ; Chen, H ; Chen, X ; Li, X ; Ghasemi, S ; Salari, H ; Hagfeldt, A ; Li, X ; Sharif University of Technology
John Wiley and Sons Inc
2022
Abstract
Because of the compatibility with tandem devices and the ability to be manufactured at low temperatures, inverted perovskite solar cells have generated far-ranging interest for potential commercial applications. However, their efficiency remains inadequate owing to various traps in the perovskite film and the restricted hole blocking ability of the electron transport layer. Thus, in this work, a wide-bandgap n-type semiconductor, 4,6-bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine (B4PyPPM), to modify a perovskite film via an anti-solvent method is introduced. The nitrogen sites of pyrimidine and pyridine rings in B4PyPPM exhibit strong interactions with the undercoordinated lead ions in...
Inhibition mechanisms of a pyridazine-based amyloid inhibitor: as a β-sheet destabilizer and a helix bridge maker
, Article Journal of Physical Chemistry B ; Volume 121, Issue 32 , 2017 , Pages 7633-7645 ; 15206106 (ISSN) ; Jabbari, M. P ; Sharif University of Technology
Abstract
Conformational diseases have been investigated extensively in recent years; as a result, a number of drug candidates have been introduced as amyloid inhibitors; however, no effective therapies have been put forward. RS-0406 with pyridazine as its core chemical structure has so far shown promising results in inhibiting amyloid formation. In the present work, using molecular dynamics, we undertook the investigation of RS-0406 interactions with U-shaped Aβ1−42 and Aβ1−40 pentamers, Aβ1−42 monomers, and double-horseshoe-like Aβ1−42. To set better parameters for the small molecule, experimental and computational log P values were obtained. In addition, an analogue of RS-0406 was also simulated...
Soluble butyl substituted copper phthalocyanine as alternative hole-transporting material for solution processed perovskite solar cells
, Article Electrochimica Acta ; Volume 212 , 2016 , Pages 929-933 ; 00134686 (ISSN) ; Chen, Q ; Lin, Y. W ; Wang, Y. L ; Nouri, E ; Xu, Z. X ; Lianos, P ; Sharif University of Technology
Elsevier Ltd
Abstract
Copper phthalocyanine can effectively act as alternative small molecule hole transporting material in perovskite solar cells. In order to produce solution processed devices, a soluble copper phtalocyanine has been synthesized by n-butyl substitution and it was compared to commercially available tert-butyl substituted copper phthalocyanine. It was found that the configuration of the butyl chain plays a very important role in film conductivity and in the subsequent efficiency of solar cells, n-bytyl derivative being the most effective hole transporter. Such a result is due to the fact that n-butyl derivative allows better packing of the molecules in the film and stronger π-π interaction
Recent trends in application of chemometric methods for GC-MS and GC×GC-MS-based metabolomic studies
, Article TrAC - Trends in Analytical Chemistry ; Volume 138 , 2021 ; 01659936 (ISSN) ; Hashemi Nasab, F. S ; Golpelichi, F ; Sabouruh, N ; Parastar, H ; Sharif University of Technology
Elsevier B.V
2021
Abstract
Metabolomics is the science of studying small molecules (metabolites) in biological systems with the aim of getting insight into cells, biofluids and organisms. Chemometric methods are powerful tools to address data problems generated in metabolomic studies and to extract valuable information. This review focuses mainly on a range of chemometric methods used for processing of metabolomics data generated from gas chromatography-mass spectrometry (GC-MS) and comprehensive two-dimensional gas chromatography-mass spectrometry (GC × GC-MS). Herein, essential skills used for preprocessing of raw data, multivariate resolution, pattern recognition, variable selection and identification of...