Photosubstitution in tris chelate complexes of ruthenium(II) containing the ligands 2,2'-bipyrazine, 2,2'-bipyrimidine, 2,2'-bipyridine, and 4,4'-dimethyl-2,2'-bipyridine: energy gap control

1989 ◽  
Vol 28 (6) ◽  
pp. 1013-1021 ◽  
Author(s):  
Helen B. Ross ◽  
Massoud Boldaji ◽  
D. Paul Rillema ◽  
Charles B. Blanton ◽  
Russell P. White
Keyword(s):  
Energy Gap ◽  
Chelate Complexes ◽  
Gap Control

scholarly journals HOMO–LUMO energy gap control in platinum(ii) biphenyl complexes containing 2,2′-bipyridine ligands

2015 ◽  
Vol 44 (39) ◽  
pp. 17075-17090 ◽  
Author(s):  
D. Paul Rillema ◽  
Stanislav R. Stoyanov ◽  
Arvin J. Cruz ◽  
Huy Nguyen ◽  
Curtis Moore ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Energy Gap ◽  
Lumo Energy ◽  
Covalently Bonded ◽  
Gap Control ◽  
Homo Lumo

Electronic properties including the HOMO–LUMO energy gap in Pt(ii) complexes can be effectively controlled using electron-donating and electron-withdrawing moieties covalently bonded to the ligands.

Photoelectrochemical etching and energy gap control of silver clusters

Nanoscale ◽  
2015 ◽  
Vol 7 (34) ◽  
pp. 14237-14240 ◽  
Author(s):  
Atsushi Kogo ◽  
Nobuyuki Sakai ◽  
Tetsu Tatsuma
Keyword(s):  
Electron Transfer ◽  
Photoinduced Electron Transfer ◽  
Energy Gap ◽  
Silver Clusters ◽  
Lumo Energy ◽  
Photoelectrochemical Etching ◽  
Gap Control ◽  
Homo Lumo

A HOMO–LUMO energy gap of Ag32 clusters is controlled by monochromatic photoelectrochemical etching due to photoinduced electron transfer from the clusters to TiO2.

Highly Systematic and Efficient HOMO–LUMO Energy Gap Control of Thiophene-Pyrazine-Acenes

2013 ◽  
Vol 117 (48) ◽  
pp. 25236-25247 ◽  
Author(s):  
Lacie V. Brownell ◽  
Kathleen A. Robins ◽  
Youngjun Jeong ◽  
Youngu Lee ◽  
Dong-Chan Lee
Keyword(s):  
Energy Gap ◽  
Lumo Energy ◽  
Gap Control ◽  
Homo Lumo

Higher Energy Gap Control of Fluorescence in Conjugated Polymers: Turn-On Amplifying Chemosensor for Hydrogen Sulfide

2017 ◽  
Vol 50 (17) ◽  
pp. 6961-6966 ◽  
Author(s):  
Chien-Hung Chiang ◽  
Deepa Pangeni ◽  
Evgueni E. Nesterov
Keyword(s):  
Hydrogen Sulfide ◽  
Conjugated Polymers ◽  
Energy Gap ◽  
Turn On ◽  
Gap Control

“Higher Energy Gap” Control in Fluorescent Conjugated Polymers: Turn-On Amplified Detection of Organophosphorous Agents

2013 ◽  
Vol 46 (18) ◽  
pp. 7266-7273 ◽  
Author(s):  
Deepa Pangeni ◽  
Evgueni E. Nesterov
Keyword(s):  
Conjugated Polymers ◽  
Energy Gap ◽  
Turn On ◽  
Gap Control

Interpretation of the reactivity of benzyl free radical towards peroxyacids in terms of orbital interactions. Competition between energy gap control and overlap control

1986 ◽  
pp. 781 ◽  
Author(s):  
Jacques Fossey ◽  
Daniel Lefort ◽  
Massoud Massoudi ◽  
Jean-Yves Nedelec ◽  
Jeanine Sorba
Keyword(s):  
Free Radical ◽  
Energy Gap ◽  
Orbital Interactions ◽  
Gap Control

Formation of high temperature phase in flash-evaporated SnSe films

1990 ◽  
Vol 48 (4) ◽  
pp. 698-699
Author(s):  
J.P.S. Hanjra
Keyword(s):  
Thin Films ◽  
Electrical Properties ◽  
Energy Gap ◽  
Dominant Role ◽  
Fine Powder ◽  
High Temperature Phase ◽  
Temperature Phase ◽  
Water Mixture ◽  
Flash Evaporation ◽  
Photovoltaic Applications

Tin mono selenide (SnSe) with an energy gap of about 1 eV is a potential material for photovoltaic applications. Various authors have studied the structure, electronic and photoelectronic properties of thin films of SnSe grown by various deposition techniques. However, for practical photovoltaic junctions the electrical properties of SnSe films need improvement. We have carried out investigations into the properties of flash evaporated SnSe films. In this paper we report our results on the structure, which plays a dominant role on the electrical properties of thin films by TEM, SEM, and electron diffraction (ED).Thin films of SnSe were deposited by flash evaporation of SnSe fine powder prepared from high purity Sn and Se, onto glass, mica and KCl substrates in a vacuum of 2Ø micro Torr. A 15% HF + 2Ø% HNO3 solution was used to detach SnSe film from the glass and mica substrates whereas the film deposited on KCl substrate was floated over an ethanol water mixture by dissolution of KCl. The floating films were picked up on the grids for their EM analysis.

Effect of the structural changes on the mechanical properties of the sintered films

2016 ◽  
Vol 12 (1) ◽  
pp. 4141-4144
Author(s):  
Garima Jain
Keyword(s):  
Crystallite Size ◽  
Lattice Constant ◽  
Structural Changes ◽  
Structural Investigation ◽  
Energy Gap ◽  
Lattice Parameter ◽  
Metal Chalcogenides ◽  
Optical Energy Gap ◽  
Tin Telluride ◽  
Physical Quantities

Polycrystalline films of tin telluride were prepared by sintering technique. The structural investigation of the films with different thicknesses enables to determine lattice parameter, crystallite size and strain existing in the films. The XRD traces showed that strain was tensile in nature. The crystallite size increases with thickness while strain decreases. Higher the value of tensile strain, larger is the lattice constant. The optical energy gap shows a descending nature with increasing strain and so with the lattice constant. Such an attempt made to delve into interdependence of basic physical quantities helps to explore the properties of SnTe and utilize it as an alternative to heavy metal chalcogenides in various technological applications.  

Structure, Stability and Water Adsorption on Ultra-Thin TiO2 Supported on TiN

2019 ◽  
Author(s):  
Jose Julio Gutierrez Moreno ◽  
Marco Fronzi ◽  
Pierre Lovera ◽  
alan O'Riordan ◽  
Mike J Ford ◽  
...  
Keyword(s):  
Density Functional ◽  
Water Adsorption ◽  
Chemical Potential ◽  
Energy Gap ◽  
Molecular Water ◽  
Structure Stability ◽  
Ambient Conditions ◽  
Rutile Structure ◽  
The Stability ◽  
The One

<p></p><p>Interfacial metal-oxide systems with ultrathin oxide layers are of high interest for their use in catalysis. In this study, we present a density functional theory (DFT) investigation of the structure of ultrathin rutile layers (one and two TiO<sub>2</sub> layers) supported on TiN and the stability of water on these interfacial structures. The rutile layers are stabilized on the TiN surface through the formation of interfacial Ti–O bonds. Charge transfer from the TiN substrate leads to the formation of reduced Ti<sup>3+</sup> cations in TiO<sub>2.</sub> The structure of the one-layer oxide slab is strongly distorted at the interface, while the thicker TiO<sub>2</sub> layer preserves the rutile structure. The energy cost for the formation of a single O vacancy in the one-layer oxide slab is only 0.5 eV with respect to the ideal interface. For the two-layer oxide slab, the introduction of several vacancies in an already non-stoichiometric system becomes progressively more favourable, which indicates the stability of the highly non-stoichiometric interfaces. Isolated water molecules dissociate when adsorbed at the TiO<sub>2</sub> layers. At higher coverages the preference is for molecular water adsorption. Our ab initio thermodynamics calculations show the fully water covered stoichiometric models as the most stable structure at typical ambient conditions. Interfacial models with multiple vacancies are most stable at low (reducing) oxygen chemical potential values. A water monolayer adsorbs dissociatively on the highly distorted 2-layer TiO<sub>1.75</sub>-TiN interface, where the Ti<sup>3+</sup> states lying above the top of the valence band contribute to a significant reduction of the energy gap compared to the stoichiometric TiO<sub>2</sub>-TiN model. Our results provide a guide for the design of novel interfacial systems containing ultrathin TiO<sub>2</sub> with potential application as photocatalytic water splitting devices.</p><p></p>

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