Anatase TiO2 Nanowires, Thin Films, and Surfaces: Ab initio Studies of Electronic Properties and Non-adiabatic Excited State Dynamics

2014 ◽  
Vol 1659 ◽  
pp. 129-134 ◽  
Author(s):  
Shuping Huang ◽  
Dmitri S. Kilin
Keyword(s):  
Thin Films ◽  
Excited State ◽  
Relaxation Rate ◽  
Electronic Properties ◽  
Relaxation Dynamics ◽  
Relaxation Rates ◽  
Tio2 Nanowires ◽  
Carrier Relaxation ◽  
Excited State Dynamics ◽  
Hot Carrier

ABSTRACTWe analyze and compare optoelectronic properties and hot carrier relaxation dynamics in different forms of TiO2 anatase materials: nanowires and thin films. The models are chosen in such way that the same crystallographic surfaces are exposed and any difference in properties is attributed to the change of the dimensionality of the nanostructure. Specifically, we give a brief review of the electronic properties and non-adiabatic excited state dynamics of <001> anatase TiO2 nanowire as well as (100) and (001) anatase TiO2 surfaces. The calculated band gap of nanowire is larger than the ones of surfaces. The hole relaxation rate is higher than the electron relaxation rate for both the surfaces and nanowire, and the electron and hole relaxation rates of surfaces are larger than the ones of nanowire.

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.

Excited-state dynamics of guanosine in aqueous solution revealed by time-resolved photoelectron spectroscopy: experiment and theory

2015 ◽  
Vol 17 (47) ◽  
pp. 31978-31987 ◽  
Author(s):  
Franziska Buchner ◽  
Berit Heggen ◽  
Hans-Hermann Ritze ◽  
Walter Thiel ◽  
Andrea Lübcke
Keyword(s):  
Aqueous Solution ◽  
Excited State ◽  
Photoelectron Spectroscopy ◽  
Relaxation Dynamics ◽  
Time Resolved ◽  
Excited State Dynamics ◽  
Spectroscopy Experiment

Time-resolved photoelectron spectroscopy is performed on aqueous guanosine solution to study its excited-state relaxation dynamics.

scholarly journals Excited-State Dynamics of Quinine Sulfate and Its Di-Cation Doped in Polyvinyl Alcohol Thin Films Near Silver Nanostructure Islands

ACS Omega ◽  
2019 ◽  
Vol 4 (3) ◽  
pp. 5509-5516 ◽  
Author(s):  
Swatantra Kumar Yadav ◽  
Gopal Rawat ◽  
Sandeep Pokharia ◽  
Satyabrata Jit ◽  
Hirdyesh Mishra
Keyword(s):  
Thin Films ◽  
Excited State ◽  
Polyvinyl Alcohol ◽  
Quinine Sulfate ◽  
Excited State Dynamics ◽  
Silver Nanostructure

scholarly journals Excited-State Dynamics of [Ru(bpy)3 ]2+ Thin Films on Sensitized TiO2 and ZrO2

ChemPhysChem ◽  
2019 ◽  
Vol 20 (4) ◽  
pp. 618-626 ◽  
Author(s):  
Valentina Leandri ◽  
Peng Liu ◽  
Azar Sadollahkhani ◽  
Majid Safdari ◽  
Lars Kloo ◽  
...  
Keyword(s):  
Thin Films ◽  
Excited State ◽  
Excited State Dynamics

Excited-State Dynamics in Perylene-Based Organic Semiconductor Thin Films: Theory Meets Experiment

2019 ◽  
Vol 123 (45) ◽  
pp. 27561-27572 ◽  
Author(s):  
Sara Wirsing ◽  
Marc Hänsel ◽  
Valentina Belova ◽  
Frank Schreiber ◽  
Katharina Broch ◽  
...  
Keyword(s):  
Thin Films ◽  
Excited State ◽  
Organic Semiconductor ◽  
Excited State Dynamics ◽  
Semiconductor Thin Films

Ultrafast Optical Dynamics of Metal-Free and Cobalt Phthalocyanine Thin Films II: Study of Excited-State Dynamics

2010 ◽  
Vol 114 (41) ◽  
pp. 17854-17863 ◽  
Author(s):  
Atef Gadalla ◽  
Jean-Baptiste Beaufrand ◽  
Martin Bowen ◽  
Samy Boukari ◽  
Eric Beaurepaire ◽  
...  
Keyword(s):  
Thin Films ◽  
Excited State ◽  
Cobalt Phthalocyanine ◽  
Excited State Dynamics ◽  
Metal Free ◽  
Ultrafast Optical

Femtosecond excited-state dynamics in fluoro- and chloroaluminum phthalocyanine thin films

1992 ◽  
Vol 96 (11) ◽  
pp. 4500-4505 ◽  
Author(s):  
V. S. Williams ◽  
S. Mazumdar ◽  
N. R. Armstrong ◽  
Z. Z. Ho ◽  
N. Peyghambarian
Keyword(s):  
Thin Films ◽  
Excited State ◽  
Excited State Dynamics ◽  
Chloroaluminum Phthalocyanine
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