Revising the formation and electronic properties in flavylium derivatives. A theoretical tandem towards optimized DSSCs

2021 ◽  
Author(s):  
Cristian Linares-Flores ◽  
Raul Guajardo-Maturana ◽  
Cristian Tirapegui ◽  
Luis Velasquez ◽  
Ramiro Arratia-Perez ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Green Energy ◽  
Bonding Analysis ◽  
Energy Applications ◽  
Transmission Properties ◽  
Optical Pathway

A study of benzopyrylium derivatives obtained from a luminescent precursor, including the optical pathway, bonding analysis, and transmission properties, toward green energy applications.

Review on modified N–TiO2 for green energy applications under UV/visible light: selected results and reaction mechanisms

RSC Advances ◽  
2014 ◽  
Vol 4 (54) ◽  
pp. 28265-28299 ◽  
Author(s):  
L. Gomathi Devi ◽  
R. Kavitha
Keyword(s):  
Band Structure ◽  
Visible Light ◽  
Electronic Properties ◽  
Reaction Mechanisms ◽  
Green Energy ◽  
Energy Applications ◽  
Structure Morphology ◽  
Optical And Electronic Properties ◽  
Activity Band ◽  
Uv Visible

Modifications of the activity, band structure, morphology, optical and electronic properties of N–TiO2 for energy and environmental applications.

scholarly journals Tuning Bandgaps of Mixed Halide and Oxide Perovskites CsSnX3 (X=Cl, I), and SrBO3 (B=Rh, Ti)

2021 ◽  
Vol 11 (15) ◽  
pp. 6862
Author(s):  
Hongzhe Wen ◽  
Xuan Luo
Keyword(s):  
Solar Energy ◽  
Electronic Properties ◽  
Density Functional ◽  
Photovoltaic Cell ◽  
Photovoltaic Properties ◽  
Functional Theory ◽  
New Approach ◽  
Energy Applications ◽  
Valence Bands ◽  
The Ideal

Perovskites have recently attracted interest in the field of solar energy due to their excellent photovoltaic properties. We herein present a new approach to the composition of lead free perovskites via mixing of halide and oxide perovskites that share the cubic ABX3 structure. Using first-principles calculations through Density Functional Theory, we systematically investigated the atomic and electronic structures of mixed perovskite compounds composed of four cubic ABX3 perovskites. Our result shows that the B and X atoms play important roles in their band structure. On the other hand, their valence bands contributed by O-2p, Rh-4p, and Ti-3p orbitals, and their electronic properties were determined by Rh-O and Ti-O bonds. With new understandings of the electronic properties of cubic halide or oxide perovskites, we lastly combined the cubic perovskites in various configurations to improve stability and tune the bandgap to values desirable for photovoltaic cell applications. Our investigations suggest that the mixed perovskite compound Cs2Sn2Cl3I3Sr2TiRhO6 produced a bandgap of 1.2 eV, which falls into the ideal range of 1.0 to 1.7 eV, indicating high photo-conversion efficiency and showing promise towards solar energy applications.

Enhancement of Hydrogen Storage in Metals by Using a New Technique in Severe Plastic Deformations

2019 ◽  
Vol 799 ◽  
pp. 173-178 ◽  
Author(s):  
Babak Shahreza Omranpour ◽  
Lembit Kommel ◽  
E. Garcia Sanchez ◽  
Yulia Ivanisenko ◽  
Jacques Huot
Keyword(s):  
Hydrogen Storage ◽  
High Pressure Torsion ◽  
Metal Hydrides ◽  
Clean Energy ◽  
Green Energy ◽  
Energy Investment ◽  
Energy Applications ◽  
Viable Solution ◽  
Diffraction Patterns ◽  
A New Technique

Hydrogen is expected to be a viable solution for green-energy investment in future. However, hydrogen storage is a big challenge for stationary and mobile applications. Severe Plastic Deformation (SPD) techniques are well-known to be effective in enhancement of hydrogenation in metals hydrides. This paper shows the effect of a novel SPD technique named “High Pressure Torsion Extrusion-HPTE” on the hydrogenation of metal hydrides and compare it with the conventional method of ECAP. Results of mechanical testing and X-ray diffraction patterns showed significant enhancement in hardness and microstructural refinement in materials after HPTE. Accordingly, hydrogenation kinetics improved dramatically. This achievement could be an initiative to implement HPTE in synthesis of metal hydrides for clean energy applications.

Heat-treatment of metal–organic frameworks for green energy applications

CrystEngComm ◽  
2015 ◽  
Vol 17 (1) ◽  
pp. 10-22 ◽  
Author(s):  
Lacey Lux ◽  
Kia Williams ◽  
Shengqian Ma
Keyword(s):  
Heat Treatment ◽  
Metal Organic Frameworks ◽  
Green Energy ◽  
Energy Applications ◽  
Metal Organic

Biogas and the Energy Sector

2020 ◽  
Author(s):  
Jacob Joseph Lamb
Keyword(s):  
Fossil Fuels ◽  
Crop Residues ◽  
Organic Materials ◽  
Biogas Production ◽  
Renewable Energy Sources ◽  
Energy Sector ◽  
Green Energy ◽  
Energy Applications ◽  
Electricity Grids ◽  
And Storage

Biogas has become one of the most attractive pathways among the renewable energy sources essential to address major modern challenges such as climate change and energy depletion in recent years. Biogas derives from the degradation of organic materials through anaerobic digestion by microorganisms. Such organic materials generally come from waste feedstocks. Therefore, besides being a sustainable replacement for fossil fuels, biogas helps control waste. Agricultural and industrial residues, municipal organic waste and sewage sludge are thus common feedstock sources, including seeds, grains and sugars, lignocellulosic biomass such as crop residues and woody crops, or high carbohydrate algae. Because of its versatility in usage and storage space, biogas plays an significant role in managing potential electricity grids. Through biogas production and utilisation, our society can go deeper into green energy applications. This Chapter will give an introduction the the current energy sector and where biogas can be used as a substitute for decarbonisation of the energy sector.

Coordination chemistry of mixed M(benzene)(cyclopendadienyl) sandwich complexes: electronic properties and bonding analysis

2016 ◽  
Vol 40 (3) ◽  
pp. 2554-2564 ◽  
Author(s):  
Saber-Mustapha Zendaoui ◽  
Bachir Zouchoune
Keyword(s):  
Coordination Chemistry ◽  
Electronic Properties ◽  
Spin State ◽  
Sandwich Complexes ◽  
Coordination Modes ◽  
Bonding Analysis ◽  
Iron Metal

Various coordination modes are adopted by the benzene and the cyclopentadienyl ring depending on the electron count of the iron metal and the spin state of the complex.

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