Electronegativities in situ, bond hardnesses, and charge-transfer components of bond energies from the topological theory of atoms in molecules

1993 ◽  
Vol 115 (3) ◽  
pp. 1084-1088 ◽  
Author(s):  
Jerzy Cioslowski ◽  
Stacey T. Mixon
Keyword(s):  
Charge Transfer ◽  
Atoms In Molecules ◽  
Bond Energies ◽  
Topological Theory

scholarly journals An In-Situ Reaction Route to Molecular Level Dispersed Bisimide and ZnO Nanorod Hybrids with Efficient Photo-Induced Charge Transfer

2021 ◽  
Vol 16 (1) ◽  
Author(s):  
Chunzheng Lv ◽  
Lirong He ◽  
Jiahong Tang ◽  
Feng Yang ◽  
Chuhong Zhang
Keyword(s):  
Charge Transfer ◽  
Electric Field ◽  
Self Assembly ◽  
Molecular Level ◽  
Surface Photovoltage ◽  
Zno Nanorod ◽  
In Situ Reaction ◽  
Perylene Bisimide ◽  
Induced Charge

AbstractAs an important photoconductive hybrid material, perylene/ZnO has attracted tremendous attention for photovoltaic-related applications, but generally faces a great challenge to design molecular level dispersed perylenes/ZnO nanohybrids due to easy phase separation between perylenes and ZnO nanocrystals. In this work, we reported an in-situ reaction method to prepare molecular level dispersed H-aggregates of perylene bisimide/ZnO nanorod hybrids. Surface photovoltage and electric field-induced surface photovoltage spectrum show that the photovoltage intensities of nanorod hybrids increased dramatically for 100 times compared with that of pristine perylene bisimide. The enhancement of photovoltage intensities resulting from two aspects: (1) the photo-generated electrons transfer from perylene bisimide to ZnO nanorod due to the electric field formed on the interface of perylene bisimide/ZnO; (2) the H-aggregates of perylene bisimide in ZnO nanorod composites, which is beneficial for photo-generated charge separation and transportation. The introduction of ordered self-assembly thiol-functionalized perylene-3,4,9,10-tetracarboxylic diimide (T-PTCDI)/ ZnO nanorod composites induces a significant improvement in incident photo-to-electron conversion efficiency. This work provides a novel mentality to boost photo-induced charge transfer efficiency, which brings new inspiration for the preparation of the highly efficient solar cell.

In situ electrochemical STM of charge-transfer complex on Cu()

2002 ◽  
Vol 517 (1-3) ◽  
pp. 52-58 ◽  
Author(s):  
Qing-Min Xu ◽  
Bin Zhang ◽  
Li-Jun Wan ◽  
Cheng Wang ◽  
Chun-Li Bai ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Charge Transfer Complex

Adsorption and Charge-Transfer Study of Bi-isonicotinic Acid on In Situ-Grown Anatase TiO2Nanoparticles

2004 ◽  
Vol 108 (10) ◽  
pp. 3114-3122 ◽  
Author(s):  
Joachim Schnadt ◽  
Anders Henningsson ◽  
Martin P. Andersson ◽  
Patrik G. Karlsson ◽  
Per Uvdal ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Isonicotinic Acid ◽  
Transfer Study

In situ formation of new organic ligands to construct two novel self-charge-transfer Pb(ii)-based frameworks

CrystEngComm ◽  
2012 ◽  
Vol 14 (1) ◽  
pp. 75-78 ◽  
Author(s):  
Yi Liu ◽  
Melvin Jun Wei Tan ◽  
Fengxia Wei ◽  
Yufeng Tian ◽  
Tom Wu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Organic Ligands ◽  
In Situ Formation

In situ AFM and XPS Investigation of U6+ Reduction by Fe2+ on Hematite and Pyrite

2012 ◽  
Vol 1444 ◽  
Author(s):  
Jingjie Niu ◽  
Udo Becker ◽  
Rodney Ewing
Keyword(s):  
Charge Transfer ◽  
Co Adsorption ◽  
Reduction Rate ◽  
Mulliken Charge ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Initial Ph ◽  
Adsorption Reduction ◽  
Tapping Mode Afm

ABSTRACTUranyl adsorption/reduction by Fe2+ on hematite and pyrite has been studied at neutral pH under anoxic and CO2-free conditions. XPS results confirm that more U3O8 precipitates on hematite than on pyrite reacted for 24 h in 160 μM uranyl nitrate and 160 μM Fe2+ solution at initial pH 7.3. These results are explained in terms of co-adsorption energy and U atom Mulliken charge transfer by quantum mechanical calculations. Moreover, in situ fluid tapping-mode AFM experiments on hematite indicate a deceleration of the U reduction rate within 24 h due to the passivation of the surface caused by the formation of orthorhombic U3O8 crystals. In addition, crystals observed using AFM show morphologies of orthorhombic schoepite appearing on hematite after 5 h.

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