Reactivity of Li+@C60@C240 and Photoinduced Charge Shift in Li+ Doped Giant Nested Fullerenes

2021 ◽  
Vol MA2021-01 (13) ◽  
pp. 635-635
Author(s):  
Miquel Solà ◽  
Jesús Antonio Luque-Urrutia ◽  
Anton Stasyuk ◽  
Olga Stasyuk ◽  
Albert Poater ◽  
...  
2020 ◽  
Vol 26 (47) ◽  
pp. 10896-10902 ◽  
Author(s):  
Anton J. Stasyuk ◽  
Olga A. Stasyuk ◽  
Miquel Solà ◽  
Alexander A. Voityuk

2007 ◽  
Vol 185 (2-3) ◽  
pp. 245-252 ◽  
Author(s):  
Agathe Espagne ◽  
Pascale Changenet-Barret ◽  
Jean-Bernard Baudin ◽  
Pascal Plaza ◽  
Monique M. Martin

2020 ◽  
Vol MA2020-01 (9) ◽  
pp. 809-809
Author(s):  
Miquel Solà ◽  
Jesús Antonio Luque-Urrutia ◽  
Antony J. Stasyuk ◽  
Olga A. Stasyuk ◽  
Albert Poater ◽  
...  

2012 ◽  
Vol 14 (9) ◽  
pp. 3194 ◽  
Author(s):  
Andrew C. Benniston ◽  
Jerry Hagon ◽  
Xiaoyan He ◽  
Helge Lemmetyinen ◽  
Nikolai V. Tkachenko ◽  
...  

2019 ◽  
Vol 123 (27) ◽  
pp. 16525-16532 ◽  
Author(s):  
Anton J. Stasyuk ◽  
Olga A. Stasyuk ◽  
Miquel Solà ◽  
Alexander A. Voityuk

1994 ◽  
Vol 229 (1-2) ◽  
pp. 40-46 ◽  
Author(s):  
Guilford Jones ◽  
Mohammad S. Farahat ◽  
Scott R. Greenfield ◽  
David J. Gosztola ◽  
Michael R. Wasielewski

1996 ◽  
Vol 93 ◽  
pp. 1697-1713 ◽  
Author(s):  
P Changenet ◽  
P Plaza ◽  
MM Martin ◽  
YH Meyer ◽  
W Rettig

2020 ◽  
Author(s):  
Zhengqing Tong ◽  
Margaret S. Cheung ◽  
Barry D. Dunietz ◽  
Eitan Geva ◽  
Xiang Sun

The nonequilibrium Fermi’s golden rule (NE-FGR) describes the time-dependent rate coefficient for electronic transitions, when the nuclear degrees of freedom start out in a <i>nonequilibrium</i> state. In this letter, the linearized semiclassical (LSC) approximation of the NE-FGR is used to calculate the photoinduced charge transfer rates in the carotenoid-porphyrin-C<sub>60</sub> molecular triad dissolved in explicit tetrahydrofuran. The initial nonequilibrium state corresponds to impulsive photoexcitation from the equilibrated ground-state to the ππ* state, and the porphyrin-to-C<sub>60</sub> and the carotenoid-to-C<sub>60</sub> charge transfer rates are calculated. Our results show that accounting for the nonequilibrium nature of the initial state significantly enhances the transition rate of the porphyrin-to-C<sub>60</sub> CT process. We also derive the instantaneous Marcus theory (IMT) from LSC NE-FGR, which casts the CT rate coefficients in terms of a Marcus-like expression, with explicitly time-dependent reorganization energy and reaction free energy. IMT is found to reproduce the CT rates in the system under consideration remarkably well.


2018 ◽  
Author(s):  
Oscar A. Douglas-Gallardo ◽  
Cristián Gabriel Sánchez ◽  
Esteban Vöhringer-Martinez

<div> <div> <div> <p>Nowadays, the search of efficient methods able to reduce the high atmospheric carbon dioxide concentration has turned into a very dynamic research area. Several environmental problems have been closely associated with the high atmospheric level of this greenhouse gas. Here, a novel system based on the use of surface-functionalized silicon quantum dots (sf -SiQDs) is theoretically proposed as a versatile device to bind carbon dioxide. Within this approach, carbon dioxide trapping is modulated by a photoinduced charge redistribution between the capping molecule and the silicon quantum dots (SiQDs). Chemical and electronic properties of the proposed SiQDs have been studied with Density Functional Theory (DFT) and Density Functional Tight-Binding (DFTB) approach along with a Time-Dependent model based on the DFTB (TD-DFTB) framework. To the best of our knowledge, this is the first report that proposes and explores the potential application of a versatile and friendly device based on the use of sf -SiQDs for photochemically activated carbon dioxide fixation. </p> </div> </div> </div>


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