Qualitative valence-bond representation for electron conduction in copper and related metals

1986 ◽  
Vol 136 (1-2) ◽  
pp. 15-24 ◽  
Author(s):  
Richard D. Harcourt
2019 ◽  
Author(s):  
Ishita Bhattacharjee ◽  
Debashree Ghosh ◽  
Ankan Paul

The question of quadruple bonding in C<sub>2</sub> has emerged as a hot button issue, with opinions sharply divided between the practitioners of Valence Bond (VB) and Molecular Orbital (MO) theory. Here, we have systematically studied the Potential Energy Curves (PECs) of low lying high spin sigma states of C<sub>2</sub>, N<sub>2</sub> and Be<sub>2</sub> and HC≡CH using several MO based techniques such as CASSCF, RASSCF and MRCI. The analyses of the PECs for the<sup> 2S+1</sup>Σ<sub>g/u</sub> (with 2S+1=1,3,5,7,9) states of C<sub>2</sub> and comparisons with those of relevant dimers and the respective wavefunctions were conducted. We contend that unlike in the case of N<sub>2</sub> and HC≡CH, the presence of a deep minimum in the <sup>7</sup>Σ state of C<sub>2</sub> and CN<sup>+</sup> suggest a latent quadruple bonding nature in these two dimers. Hence, we have struck a reconciliatory note between the MO and VB approaches. The evidence provided by us can be experimentally verified, thus providing the window so that the narrative can move beyond theoretical conjectures.


1978 ◽  
Vol 43 (5) ◽  
pp. 1375-1392 ◽  
Author(s):  
Ante Graovac ◽  
Ivan Gutman ◽  
Milan Randić ◽  
Nenad Trinajstić

Author(s):  
Nathan J Yutronkie ◽  
Benjamin King ◽  
Owen Alfred Melville ◽  
Benoit Hugo Lessard ◽  
Jaclyn L Brusso

The perfluorinated analogue of silicon phthalocyanine (F2-F16SiPc) has been synthesized as a novel air-stable n-type organic semiconductor. The design of F2-F16SiPc facilitates strong electron conduction through peripheral fluorination that deepens...


ChemInform ◽  
2010 ◽  
Vol 26 (40) ◽  
pp. no-no
Author(s):  
P. B. KARADAKOV ◽  
J. GERRATT ◽  
D. L. COOPER ◽  
M. RAIMONDI

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Ziqi Wang ◽  
Liubing Dong ◽  
Weiyuan Huang ◽  
Hao Jia ◽  
Qinghe Zhao ◽  
...  

AbstractOwing to the merits of low cost, high safety and environmental benignity, rechargeable aqueous Zn-based batteries (ZBs) have gained tremendous attention in recent years. Nevertheless, the poor reversibility of Zn anodes that originates from dendrite growth, surface passivation and corrosion, severely hinders the further development of ZBs. To tackle these issues, here we report a Janus separator based on a Zn-ion conductive metal–organic framework (MOF) and reduced graphene oxide (rGO), which is able to regulate uniform Zn2+ flux and electron conduction simultaneously during battery operation. Facilitated by the MOF/rGO bifunctional interlayers, the Zn anodes demonstrate stable plating/stripping behavior (over 500 h at 1 mA cm−2), high Coulombic efficiency (99.2% at 2 mA cm−2 after 100 cycles) and reduced redox barrier. Moreover, it is also found that the Zn corrosion can be effectively retarded through diminishing the potential discrepancy on Zn surface. Such a separator engineering also saliently promotes the overall performance of Zn|MnO2 full cells, which deliver nearly 100% capacity retention after 2000 cycles at 4 A g−1 and high power density over 10 kW kg−1. This work provides a feasible route to the high-performance Zn anodes for ZBs.


Nanomaterials ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 657
Author(s):  
Geul Han Kim ◽  
Yoo Sei Park ◽  
Juchan Yang ◽  
Myeong Je Jang ◽  
Jaehoon Jeong ◽  
...  

Developing high performance, highly stable, and low-cost electrodes for the oxygen evolution reaction (OER) is challenging in water electrolysis technology. However, Ir- and Ru-based OER catalysts with high OER efficiency are difficult to commercialize as precious metal-based catalysts. Therefore, the study of OER catalysts, which are replaced by non-precious metals and have high activity and stability, are necessary. In this study, a copper–cobalt oxide nanosheet (CCO) electrode was synthesized by the electrodeposition of copper–cobalt hydroxide (CCOH) on Ni foam followed by annealing. The CCOH was annealed at various temperatures, and the structure changed to that of CCO at temperatures above 250 °C. In addition, it was observed that the nanosheets agglomerated when annealed at 300 °C. The CCO electrode annealed at 250 °C had a high surface area and efficient electron conduction pathways as a result of the direct growth on the Ni foam. Thus, the prepared CCO electrode exhibited enhanced OER activity (1.6 V at 261 mA/cm2) compared to those of CCOH (1.6 V at 144 mA/cm2), Co3O4 (1.6 V at 39 mA/cm2), and commercial IrO2 (1.6 V at 14 mA/cm2) electrodes. The optimized catalyst also showed high activity and stability under high pH conditions, demonstrating its potential as a low cost, highly efficient OER electrode material.


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