Rational Design and Characterization of Direct Z-Scheme Photocatalyst for Overall Water Splitting from Excited State Dynamics Simulations

ACS Catalysis ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 1976-1983 ◽  
Author(s):  
Xianghong Niu ◽  
Xiaowan Bai ◽  
Zhaobo Zhou ◽  
Jinlan Wang
Keyword(s):  
Excited State ◽  
Water Splitting ◽  
Rational Design ◽  
Excited State Dynamics ◽  
Overall Water Splitting ◽  
Dynamics Simulations

scholarly journals Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine–water clusters

2019 ◽  
Vol 21 (26) ◽  
pp. 14073-14079 ◽  
Author(s):  
Xiaojuan Pang ◽  
Chenwei Jiang ◽  
Weiwei Xie ◽  
Wolfgang Domcke
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Gas Phase ◽  
Water Splitting ◽  
Water Clusters ◽  
Water Molecules ◽  
Nonadiabatic Dynamics ◽  
Excited State Dynamics ◽  
Dynamics Simulations

We performed the excited-state dynamics simulations for pyridine–water clusters and found the more water molecules involved in the cluster, the higher efficiency the water-splitting reaction has, which is qualitatively in consistent with a recent gas-phase experimental observations.

scholarly journals Ultrafast excited state dynamics and light-switching of [Ru(phen)2(dppz)]2+ in G-quadruplex DNA

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Chunfan Yang ◽  
Qian Zhou ◽  
Zeqing Jiao ◽  
Hongmei Zhao ◽  
Chun-Hua Huang ◽  
...  
Keyword(s):  
Excited State ◽  
State Formation ◽  
Rational Design ◽  
Bound Water ◽  
Binding Modes ◽  
Relaxation Dynamics ◽  
Dark State ◽  
Excited State Dynamics ◽  
G Quadruplex ◽  
Mechanistic Basis

AbstractThe triplet metal to ligand charge transfer (3MLCT) luminescence of ruthenium (II) polypyridyl complexes offers attractive imaging properties, specifically towards the development of sensitive and structure-specific DNA probes. However, rapidly-deactivating dark state formation may compete with 3MLCT luminescence depending on different DNA structures. In this work, by combining femtosecond and nanosecond pump-probe spectroscopy, the 3MLCT relaxation dynamics of [Ru(phen)2(dppz)]2+ (phen = 1,10-phenanthroline, dppz = dipyridophenazine) in two iconic G-quadruplexes has been scrutinized. The binding modes of stacking of dppz ligand on the terminal G-quartet fully and partially are clearly identified based on the biexponential decay dynamics of the 3MLCT luminescence at 620 nm. Interestingly, the inhibited dark state channel in ds-DNA is open in G-quadruplex, featuring an ultrafast picosecond depopulation process from 3MLCT to a dark state. The dark state formation rates are found to be sensitive to the content of water molecules in local G-quadruplex structures, indicating different patterns of bound water. The unique excited state dynamics of [Ru(phen)2(dppz)]2+ in G-quadruplex is deciphered, providing mechanistic basis for the rational design of photoactive ruthenium metal complexes in biological applications.

scholarly journals Rational design of stratified material with spatially separated catalytic sites as an efficient overall water-splitting photocatalyst

2021 ◽  
Vol 42 (6) ◽  
pp. 1040-1050
Author(s):  
Yi-Lei Li ◽  
Xiao-Jing Wang ◽  
Ying-Juan Hao ◽  
Jun Zhao ◽  
Ying Liu ◽  
...  
Keyword(s):  
Water Splitting ◽  
Rational Design ◽  
Overall Water Splitting ◽  
Catalytic Sites

Rational design of Cu–Co thiospinel ternary sheet arrays for highly efficient electrocatalytic water splitting

2020 ◽  
Vol 8 (4) ◽  
pp. 1799-1807 ◽  
Author(s):  
Nan Zang ◽  
Zexing Wu ◽  
Jie Wang ◽  
Wei Jin
Keyword(s):  
Water Splitting ◽  
Rational Design ◽  
Carbon Felt ◽  
Unique Structure ◽  
Highly Efficient ◽  
Overall Water Splitting

CuCo2S4 ternary sheet arrays are successfully synthesized on the micro-fibre of carbon felt, which exhibits excellent OER, HER and overall water splitting performance benefiting from the unique structure.

scholarly journals Hybrid structured CoNi2S4/Ni3S2 nanowires with multifunctional performance for hybrid capacitor electrodes and overall water splitting

RSC Advances ◽  
2020 ◽  
Vol 10 (55) ◽  
pp. 33428-33435
Author(s):  
Xiaoyun Liu ◽  
Qian Li ◽  
Xin Zhang ◽  
Yueqiu Jiang
Keyword(s):  
Energy Storage ◽  
Water Splitting ◽  
Significant Role ◽  
Rational Design ◽  
Electrode Materials ◽  
Energy Storage And Conversion ◽  
Overall Water Splitting ◽  
Potential Applications

Rational design of electrode materials plays a significant role in potential applications such as energy storage and conversion.

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