scholarly journals Molecular Electronics: History and Fundamentals

2016 ◽  
Vol 69 (3) ◽  
pp. 244 ◽  
Author(s):  
Santiago Marqués-González ◽  
Paul J. Low
Keyword(s):  
Solid State ◽  
Electronic Properties ◽  
20Th Century ◽  
Molecular Electronics ◽  
Emerging Technology ◽  
Laboratory Setting ◽  
Interested Reader ◽  
Basic Premise ◽  
Key Concepts ◽  
Semiconductor Electronics

The increasing difficulties of meeting ‘Moore’s Law’ rates of progress in conventional semiconductor electronics, coupled with the advent of methods capable of measuring the electronic properties of single molecules in a laboratory setting, have seen a surge of activity in the field of molecular electronics over the last decade. However, the concepts of molecular electronics are far from new, and the basic premise and ideas of molecular electronics have been shadowing those of solid-state semiconductor electronics since the middle of the 20th century. In this Primer Review, we introduce the topic of molecular electronics, drawing on some of the earliest expressions of the fundamental concepts, and summarizing key concepts to provide the interested reader with an entry to this fascinating field of science and emerging technology.

scholarly journals Control of Porphyrin Planarity and Aggregation by Covalent Capping: Bissilyloxy Porphyrin Silanes

2020 ◽  
Author(s):  
Burhan A. Hussein ◽  
Zainab Shakeel ◽  
Andrew T. Turley ◽  
Aisha N. Bismillah ◽  
Kody Wolfstadt ◽  
...  
Keyword(s):  
Solid State ◽  
Electronic Properties ◽  
Structural Properties ◽  
Molecular Electronics ◽  
Functional Materials ◽  
Redox Potentials ◽  
Limited Success ◽  
Porphyrin Core ◽  
Electronic And Structural Properties

<div> <div> <div> <p>Porphyrins are cornerstone functional materials that are useful in a wide variety of settings ranging from molecular electronics to biology and medicine. Their applications are often hindered, however, by poor solubilities that result from their extended, solvophobic aromatic surfaces. Attempts to counteract this problem by functionalizing their peripheries have been met with only limited success. Here, we demonstrate a versatile strategy to tune the physical and electronic properties of porphyrins using an axial functionalization approach. Porphyrin silanes (PorSils) and bissilyloxy PorSils (SOPS) are prepared from porphyrins by operationally simple κ4N-silylation protocols, introducing bulky silyloxy “caps” that are central and perpendicular to the planar porphyrin. While porphyrins typically form either J- or H-aggregates, SOPS do not self-associate in the same manner: the silyloxy axial substituents dramatically improve solubility by inhibiting aggregation. Moreover, axial porphyrin functionalization offers convenient handles through which optical, electronic, and structural properties of the porphyrin core can be modulated. We observe that the identity of the silyloxy substituent impacts the degree of planarity of the porphyrin in the solid state as well as the redox potentials. </p> </div> </div> </div>

scholarly journals Control of Porphyrin Planarity and Aggregation by Covalent Capping: Bissilyloxy Porphyrin Silanes

2020 ◽  
Author(s):  
Burhan A. Hussein ◽  
Zainab Shakeel ◽  
Andrew T. Turley ◽  
Aisha N. Bismillah ◽  
Kody Wolfstadt ◽  
...  
Keyword(s):  
Solid State ◽  
Electronic Properties ◽  
Structural Properties ◽  
Molecular Electronics ◽  
Functional Materials ◽  
Redox Potentials ◽  
Limited Success ◽  
Porphyrin Core ◽  
Electronic And Structural Properties

<div> <div> <div> <p>Porphyrins are cornerstone functional materials that are useful in a wide variety of settings ranging from molecular electronics to biology and medicine. Their applications are often hindered, however, by poor solubilities that result from their extended, solvophobic aromatic surfaces. Attempts to counteract this problem by functionalizing their peripheries have been met with only limited success. Here, we demonstrate a versatile strategy to tune the physical and electronic properties of porphyrins using an axial functionalization approach. Porphyrin silanes (PorSils) and bissilyloxy PorSils (SOPS) are prepared from porphyrins by operationally simple κ4N-silylation protocols, introducing bulky silyloxy “caps” that are central and perpendicular to the planar porphyrin. While porphyrins typically form either J- or H-aggregates, SOPS do not self-associate in the same manner: the silyloxy axial substituents dramatically improve solubility by inhibiting aggregation. Moreover, axial porphyrin functionalization offers convenient handles through which optical, electronic, and structural properties of the porphyrin core can be modulated. We observe that the identity of the silyloxy substituent impacts the degree of planarity of the porphyrin in the solid state as well as the redox potentials. </p> </div> </div> </div>

scholarly journals Ibn ʿArabī’s Metaphysics in the Context of Andalusian Mysticism: Some Akbarian Concepts in the Light of Ibn Masarra and Ibn Barrajān

Religions ◽  
2021 ◽  
Vol 12 (1) ◽  
pp. 40
Author(s):  
Gracia López-Anguita
Keyword(s):  
20Th Century ◽  
Key Concepts ◽  
Point Of Reference

The aim of this article is to trace the origins of some of the key concepts of Ibn Arabi’s metaphysics and cosmology in earlier Andalusian Sufi masters. Within the context of the seminal works on Ibn Arabi’s cosmology and metaphysics produced from the second half of the 20th century onwards and through a comparison of texts by the Sufi masters Ibn Masarra and Ibn Barrajān, we will see which elements are taken from previous sources and how they are transformed or re-interpreted by Ibn ʿArabī in a philosophical-mystical system that would become the point of reference for the later Eastern and Western Sufi tradition.

Electronic Properties and Solid-State Packing of Isocyanofulvenes and Their Gold(I) Chloride Complexes

2020 ◽  
Vol 59 (23) ◽  
pp. 17171-17183
Author(s):  
Sandra Schraff ◽  
Jens Trampert ◽  
Andreas Orthaber ◽  
Frank Pammer
Keyword(s):  
Solid State ◽  
Electronic Properties ◽  
Chloride Complexes

Synthesis and Solid-State Polymerization of Diacetylene with Tetrathiafulvalene and the Electronic Properties

2012 ◽  
Vol 568 (1) ◽  
pp. 87-92 ◽  
Author(s):  
Yoko Tatewaki ◽  
Satoshi Inayama ◽  
Koji Watanabe ◽  
Hiroki Shibata ◽  
Shuji Okada
Keyword(s):  
Solid State ◽  
Electronic Properties ◽  
Solid State Polymerization

scholarly journals Влияние переходных металлов IIIВ-группы на формирование замкнутых германиевых кластеров: компьютерный эксперимент в рамках теории функционала плотности

2019 ◽  
Vol 21 (2) ◽  
pp. 182-190
Author(s):  
Nadezda A. Borshch ◽  
Sergey I. Kurganskii
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Electronic Properties ◽  
Magnetic Moment ◽  
Geometric Structure ◽  
Density Functional ◽  
Chem Phys ◽  
Silicon Clusters ◽  
Functional Theory ◽  
Doped Silicon

Представлены результаты моделирования пространственной структуры и электронных свойств кластеров MeGe16 - и MeGe20 - (Me = Sc, Y, Lu). Рассматривается возможность синтеза  пуллереноподобных кластеров и кластеров с другими типами замкнутых структур. Проведены сравнительные расчеты в рамках теории функционала плотности с использованием базиса SDD и трех различных потенциалов – B3LYP, B3PW91 и PBEPBE. Анализируется влияние выбора потенциала на результаты моделирования пространственной структуры кластеров и их электронного спектра. Оценка адекватности теоретических методов проводится путем сравнения рассчитанных электронных спектров с экспериментальными результатами по фотоэлектронной спектроскопии кластеров.     REFERENCES Kroto H. W., Heath J. R., O’Brien S. C., Curl R. F., Smalley R. E. C60: Buckminsterfullerene. Nature, 1985, v. 318, pp. 162-163. https://doi.org/10.1038/318162a0 Hiura H., Miyazaki, Kanayama T. Formation of Metal-Encapsulating Si Cage Clusters. Phys. Rev. Lett., 2001, v. 86, p. 1733. https://doi.org/10.1103/PhysRev-Lett.86.1733 Wang J., Han J. Geometries, stabilities, and electronic properties of different-sized ZrSin (n=1–16) clusters: A density-functional investigation. Chem. Phys., 2005, v. 123(6), pp. 064306–064321. https://doi.org/10.1063/1.1998887 Guo L.-J., Liu X., Zhao G.-F. Computational investigation of TiSin (n=2–15) clusters by the densityfunctional theory. Chem. Phys., 2007, v. 126(23), pp. 234704–234710.  https://doi.org/10.1063/1.2743412 Li J., Wang G., Yao C., Mu Y., Wan J., Han M. Structures and magnetic properties of SinMn (n=1–15) clusters. Chem. Phys., 2009, v. 130(16), pp. 164514–164522.  https://doi.org/10.1063/1.3123805 Borshch N. A., Berestnev K. S., Pereslavtseva N. S., Kurganskii S. I. Geometric structure and electron spectrum of YSi n− clusters (n = 6–17) Physics of the Solid State, 2014, v. 56(6), pp. 1276–1281. https://doi.org/10.1134/S1063783414060080 Borshch N., Kurganskii S. Geometric structure, electron-energy spectrum, and growth of anionic scandium-silicon clusters ScSin- (n = 6–20). Appl. Phys., 2014, v. 116(12), pp. 124302-1 – 124302-8. https://doi.org/10.1063/1.4896528 Borshch N. A., Pereslavtseva N. S., Kurganskii S. I. Spatial structure and electronic spectrum of TiSi n - Clusters (n = 6–18). Russian Journal of Physical Chemistry A, v. 88(10), pp. 1712–1718. https://doi.org/10.1134/S0036024414100070 Borshch N. A., Pereslavtseva N. S., Kurganskii S. I. Spatial and electronic structures of the germanium-tantalum clusters TaGe n − (n = 8–17). Physics of the Solid State, 2014, vol. 56(11), pp. 2336–2342. https://doi.org/10.1134/S1063783414110055 Huang X., Yang J. Probing structure, thermochemistry, electron affi nity, and magnetic moment of thulium-doped silicon clusters TmSi n (n = 3–10) and their anions with density functional theory. Mol. Model., 2018, v. 24(1), p. 29. https://doi.org/10.1007/s00894-017-3566-7 Zhang, Y., Yang, J., Cheng, L. J. Probing Structure, Thermochemistry, Electron Affi nity and Magnetic Moment of Erbium-Doped Silicon Clusters ErSin (n = 3–10) and Their Anions with Density Functional Theory. Sci., 2018, v. 29(2), pp. 301–311. https://doi.org/10.1007/s10876-018-1336-z Ye T., Luo C., Xu B., Zhang S., Song H., Li G. Probing the geometries and electronic properties of charged Zr2Si n q (n = 1–12, q = ±1) clusters. Chem., 2018, v. 29(1), pp. 139–146.  https://doi.org/10.1007/s11224-17-1011-2 Nguyen M.T., Tran Q. T., Tran V.T. A CASSCF/ CASPT2 investigation on electron detachments from ScSi n − (n = 4–6) clusters. Mol. Model., 2017, v. 23(10), p. 282. https://doi.org/10.1007/s00894-017-3461-2 Liu Y., Jucai Yang J., Cheng L. Structural Stability and Evolution of Scandium-Doped Silicon Clusters: Evolution of Linked to Encapsulated Structures and Its Infl uence on the Prediction of Electron Affi nities for ScSin (n = 4–16) Clusters. Chem., 2018, v. 57(20), pp 12934–12940. https://doi.org/10.1021/acs.inorgchem.8b02159

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