scholarly journals Underlying mechanism of charge transfer in Li-doped MgH16 at high pressure

2020 ◽  
Vol 102 (18) ◽  
Author(s):  
Chongze Wang ◽  
Seho Yi ◽  
Shuyuan Liu ◽  
Jun-Hyung Cho
2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Carla Lupo ◽  
Evan Sheridan ◽  
Edoardo Fertitta ◽  
David Dubbink ◽  
Chris J. Pickard ◽  
...  

AbstractUsing spin-assisted ab initio random structure searches, we explore an exhaustive quantum phase diagram of archetypal interfaced Mott insulators, i.e. lanthanum-iron and lanthanum-titanium oxides. In particular, we report that the charge transfer induced by the interfacial electronic reconstruction stabilises a high-spin ferrous Fe2+ state. We provide a pathway to control the strength of correlation in this electronic state by tuning the epitaxial strain, yielding a manifold of quantum electronic phases, i.e. Mott-Hubbard, charge transfer and Slater insulating states. Furthermore, we report that the electronic correlations are closely related to the structural oxygen octahedral rotations, whose control is able to stabilise the low-spin state of Fe2+ at low pressure previously observed only under the extreme high pressure conditions in the Earth’s lower mantle. Thus, we provide avenues for magnetic switching via THz radiations which have crucial implications for next generation of spintronics technologies.


ChemPhotoChem ◽  
2018 ◽  
Vol 2 (5) ◽  
pp. 382-382
Author(s):  
Toshikazu Ono ◽  
Yoshifumi Tsukiyama ◽  
Ai Taema ◽  
Hiroyasu Sato ◽  
Hidetoshi Kiyooka ◽  
...  

2003 ◽  
Vol 135-136 ◽  
pp. 523-524 ◽  
Author(s):  
T. Sakurai ◽  
M. Saruhashi ◽  
Y. Inagaki ◽  
S. Okubo ◽  
H. Ohta ◽  
...  

2021 ◽  
Author(s):  
Qinying Pan ◽  
Mohamed Abdellah ◽  
Yuehan Cao ◽  
Yang Liu ◽  
Weihua Lin ◽  
...  

Abstract Rhenium(I)-carbonyl-diimine complexes are promising photocatalysts for CO2 reduction. Covalent organic frameworks (COFs) can be perfect sensitizers to enhance the reduction activities. Here we investigated the excited state dynamics of COF (TpBpy) with 2,2'-bipyridine incorporating Re(CO)5Cl (Re-TpBpy) to rationalize the underlying mechanism. The time-dependent DFT calculation first clarified excited state structure of the hybrid catalyst. The studies from transient visible and infrared spectroscopies revealed the excitation energy-dependent photo-induced charge transfer pathways in Re-TpBpy. Under low energy excitation, the electrons at the LUMO level are quickly injected from Bpy into ReI center (1–2 ps) followed by backward recombination (13 ps). Under high energy excitation, the hot-electrons are first injected into the higher unoccupied level of ReI center (1–2 ps) and then slowly relax back to the HOMO in COF (24 ps). There also remains long-lived free electrons in the COF moiety. This explained the excitation energy-dependent CO2 reduction performance in our system.


1997 ◽  
Vol 296 (1) ◽  
pp. 255-268 ◽  
Author(s):  
Toshihiro Hiejima ◽  
Kyuya Yakushi ◽  
Takafumi Adachi ◽  
Osamu Shimomura ◽  
Keiki Takeda ◽  
...  

1977 ◽  
Vol 49 (13) ◽  
pp. 2080-2083 ◽  
Author(s):  
C. Randall. Clark ◽  
Charles M. Darling ◽  
Jen-Lee. Chan ◽  
Alfred C. Nichols

2018 ◽  
Vol 54 (49) ◽  
pp. 6280-6283 ◽  
Author(s):  
Peng Li ◽  
Xiaolei Wang ◽  
Haiyan Li ◽  
Xuwei Yang ◽  
Xiaolei Zhang ◽  
...  

We investigated the CT process between a 4-MBA monolayer and TiO2NPs under high pressure using SERS, and the effect of pressure on CT process was explored.


1974 ◽  
Vol 24 (10) ◽  
pp. 477-478 ◽  
Author(s):  
C. B. Collins ◽  
A. J. Cunningham ◽  
S. M. Curry ◽  
B. W. Johnson ◽  
M. Stockton

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