Diketopyrrolopyrrole-based sensitizers for dye-sensitized solar cell applications: anchor engineering

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Perovskite-based solar cells are currently the most rapidly advancing photovoltaic technology but concerns about their long-term stability are still impeding full-scale commercialization. This thesis provides computational insights into some of the stabili ...

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We present a combination technique based on mixed differences of both spatial approximations and quadrature formulae for the stochastic variables to solve efficiently a class of optimal control problems (OCPs) constrained by random partial differential equ ...

The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been scarcely investigated despite its relevance to thermal management and (over)he ...

Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

A new and efficient magnetisation transfer P-31 magnetic resonance fingerprinting (MT-P-31-MRF) approach is introduced to measure the creatine kinase metabolic rate kCK

{k}_{\mathrm{CK}}

between phosphocreatine (PCr) and adenosine triphosphate (ATP) i ...

To achieve the goals of the Paris Agreement on climate change, governments around the world must shift to renewable energy (RE) to drastically reduce their CO2 emissions within the next 10-30 years. The development of effective strategies for RE integratio ...

Solar cells rely on the efficient generation of electrons and holes and the subsequent collection of these photoexcited charge carriers at spatially separated electrodes. High wafer quality is now commonplace for crystalline silicon (c-Si) based solar cell ...

Renewable energy deployment and implementation of a circular economy will play a crucial role in decreasing CO2 emissions to meet the target from the Paris agreement. Dye-sensitized solar cells (DSSCs) can be designed in various colors and transparency for ...

Hybrid lead halide perovskites will potentially lead the future energy scenario if highly efficient cells have long-term stability. Here we combine state-of-the art mixed-cation formulations containing formamidinium (FA) and methylammonium (MA), with optim ...

Perovskite/silicon tandem solar cells are emerging as a high-efficiency and prospectively cost-effective solar technology with great promise for deployment at the utility scale. However, despite the remarkable performance progress reported lately, assuring ...

Herein, we report the synthesis of a series of push-pull imines by considering cyclic diamino substituent at the C-centre and fluoroaryl substituent at the N-centre. This has been achieved by a selective aromatic nucleophilic substitution of different fluo ...

Semitransparent dye-sensitized solar cells (DSCs) are appealing as aesthetically pleasing and colorful see-through photovoltaics. Green semitransparent DSCs have been presented, but the best ones rely on green zinc porphyrin photosensitizers and high volat ...

Titanium dioxide (anatase, rutile) and quasi-amorphous tin dioxide are prepared on F-doped SnO2 in the form of dense thin films, which can serve as electron-selective layers in perovskite solar cells and dye-sensitized solar cells (DSSCs). The present stud ...

Being able to replicate real experiments with computational simulations is a unique opportunity to refine and validate models with experimental data and redesign the experiments based on simulations. However, since it is technically demanding to model all ...

Copper redox mediators can be employed in dye sensitized solar cells (DSCs) both as liquid electrolytes or as solid state hole transport materials (HTMs). The solid state devices that employ copper complex HTMs can be simply obtained by solvent evaporation ...

Solidification is a phase transformation of utmost importance in material science, for it largely controls materials' microstructure on which a wide range of mechanical properties depends. Almost every human artifact undergoes a transformation that leads t ...

Hybrid organometallic halide perovskites have been intensively investigated in the past years as highly efficient light harvesters for various optoelectronic applications for both sensing and emitting light. However, many open questions remain regarding th ...

Perovskite solar cells have set a new milestone in terms of efficiencies in the thin film photovoltaics category. Long-term stability of perovskite solar cells is of paramount importance but remains a challenging task. The lack of perovskite solar cells st ...

In this perspective communication, we briefly sketch the current state of computational (bio)material research and discuss possible solutions for the four challenges that have been increasingly identified within this community: (i) the desire to develop a ...

Diketopyrrolopyrrole-based sensitizers for dye-sensitized solar cell applications: anchor engineering

Chattez avec Graph Search

Computational Studies on the Stability of Organic-Inorganic Hybrid Halide Lead Perovskites

Live-cell imaging powered by computation

A Combination Technique for Optimal Control Problems Constrained by Random PDEs

Thermal conductivity of Li 3 PS 4 solid electrolytes with ab initio accuracy

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

Spatio-Temporal Estimation of Renewable Energy Potential in Built Environments using Big Data

Carrier-selective contacts using metal compounds for crystalline silicon solar cells

Interfacial engineering for competitive Dye-Sensitized Solar Cells production

Cation optimization for burn-in loss-free perovskite solar devices

Toward Stable Monolithic Perovskite/Silicon Tandem Photovoltaics: A Six-Month Outdoor Performance Study in a Hot and Humid Climate

Facile One-Pot Assembly of Push-Pull Imines by a Selective C-F Substitution Process in Aryl Fluorides

A Blue Photosensitizer Realizing Efficient and Stable Green Solar Cells via Color Tuning by the Electrolyte

Electron-Selective Layers for Dye-Sensitized Solar Cells Based on TiO2 and SnO2

Experimental and Computational Study on Motor Control and Recovery After Stroke: Toward a Constructive Loop Between Experimental and Virtual Embodied Neuroscience

Liquid State and Zombie Dye Sensitized Solar Cells with Copper Bipyridine Complexes Functionalized with Alkoxy Groups

Atomistic modeling of the solid-liquid interface of metals and alloys

Structural properties of organometalic halide perovskite and their application in photodetectors

Elucidating the Doping Mechanism in Fluorene-Dithiophene-Based Hole Selective Layer Employing Ultrahydrophobic Ionic Liquid Dopant

Unfolding the prospects of computational (bio)materials modeling