Conference Session: Auditorium between Buildings 4 and 5.
Lunch: Lobby area of seaside in level 2, building 5.
In order to surpass the Shockley-Queisser limit on power conversion efficiency, schemes to manipulate high- and low-energy photons must be developed. In this talk, I will describe our use of crystal engineering techniques to enhance the singlet fission process, where one high-energy singlet exciton is converted into two lower-energy triplet excitons. Structural modifications that enhance and accelerate this process will be described, along with approaches to harvest the 'dark' triplet states formed by the fission process. I will also describe our search for new chromophore systems that allow triplet-triplet annihilation, which is a process where very low energy triplet excitons, too low in energy to be harvested by Si-based photovoltaics, can be combined into a higher energy photon that is able to be absorbed.
Radiation therapy is an effective medical procedure for cancer treatment that relies on the fact that high-energy ionizing radiation can destroy cancer cells. Nevertheless, the risks of malignancies induced by peripheral radiation in healthy tissues surrounding the target volumes represents a serious concern for all patients and doctors alike. Positioning of the patient, inhomogeneities in the target (muscles/bones/adipose tissue), and even minor movements (e.g. breathing), can alter the received dose and targeted volume, and thus affect the outcome of the procedure. Therefore, being able to measure radiation doses with high accuracy and in real time is a critical aspect of diagnostics and treatment. In this presentation I will introduce a new type of radiation dosimeter, the RAD-OFET (RAdiation Detector based on Organic Field-Effect Transistor), which can validate in real time the dose being delivered and ensure that for nearby regions an acceptable level of low dose is being received. The RAD-OFETs exploit trap generation/annihilation in organic semiconductors, are sensitive to doses relevant to many radiation treatment procedures and are robust when incorporated into conformal large-area electronic applications. Placement of the sensor directly onto the human body, coupled with the similarity in the Z-number between the electronically active layer and the human tissue, allows for direct measurement of the radiation dose, eliminating the need for extensive data processing faced by current technologies. The direct consequence is a greater precision and lower complexity in the medical equipment: their adoption in clinical settings will facilitate the application of therapeutic radiation with high precision, a process that will increase the effectiveness on treating cancerous tissue and minimize the impact on the surrounding healthy cells. These results uncover new opportunities for organic circuits that will improve the quality of healthcare through better, lower cost in vivo dose monitoring during radiation therapy.
Emerging PV technologies cells have a continuous strong track record in performance during the last years. With these performance values, solution processed emerging photovoltaic technologies are reaching out to applications that are going beyond the typical niche markets. The first generation of commercially available printed PV modules showed a lifespan in the order of beyond 5 years and more under outdoor conditions (OPV) while long-time outdoor data for perovskite modules are still missing. Interestingly, several experiments are strongly suggesting that solution processed semiconductors like organics or perovskites can be stable under light and, to some extent, under oxygen as well. Despite these impressive numbers, one should not forget that these are “best you can do” lifetime values. On the other hand, the community did not progress significantly in overcoming the fundamental limitations of printed PV. This is more expressed for organics than for perovskites: The energy gap law for excitonic materials, the precise microstructure control of binary or ternary composites, the design principles for environmentally stable materials or the Kirchhoff law for multi-junction cells continue to be major barriers for this technology. We briefly introduce into these long-time challenges and then discuss concepts and strategies how to resolve them for excitonic absorbers. Among them, the development of a digital twin which has inverse predictive power is a most promising concept. “Solar FAU”, an alliance of research partners in the Erlangen-Nürnberg region that is headed by Friedrich Alexander University, is exploring the basic concepts and methodologies how to build a digital twin for emerging-PV technologies. The central and most desired element of the digital twin is the power of inverse design, e.g., inventing molecules, device architectures and processes with tailored properties. Insight from first pieces (agents) of the digital twin strongly supports the assumption that inverse design capability is possible, even in the case of considerable experimental uncertainty. Coupling the digital twin to Material Acceleration Platforms (MAP) reduces experimental uncertainty and allows to learn predictions which otherwise would be impossible. We have recently demonstrated the power of such coupled systems and demonstrated correlations which were previously unthinkable, like the prediction of performance and lifetime of OPV cells from simple absorption data or the identification of he best process for perovskites under environmental conditions merely at the hand of photoluminescence data.
According to a United Nations report, chemicals production and consumption are to be doubled in the next 10 years to fulfil our essential needs. It’s simply not going to happen unless we adopt a circular economy approach. The UKRI Interdisciplinary Centre for Circular Chemical Economy was established in January 2021 to kick start the timely transition of the UK’s £32bn chemical industry into a circular system. In this talk, I will outline the vision and remit of the Centre, and discuss why we need a whole system approach and an interdisciplinary team to address the challenge. I will then give some examples of the on-going research in our lab to tackle the challenges in the development of the circular chemical economy. I will show how we combine classic electrochemical engineering with cutting-edge enabling tools such as deep learning and digital twin technologies to deliver novel sustainable chemicals and materials and recover chemical feedstocks from end-of-life materials and captured CO2 emissions.
Under the increasingly severe climate and regulative pressures to achieve carbon neutrality, current electrochemical energy storage systems are in need of a radical upgrade to meet various demands from end users. Aqueous zinc ion batteries (AZIBs) provide sustainable routes to grid-scale energy storage because of their cost and safety advantages, using mild aqueous electrolytes and abundant metallic zinc anodes. Besides, owing to the distinctive merits such as relatively high ionic conductivity, environmental benignity, low risks of flammability and considerable energy density of AZIBs compared with conventional Li-ion batteries, AZIBs are intensively investigated to unleash the potential for practical applications. However, the development of rechargeable AZIBs is plagued by poor reversibility due to a series of intrinsic issues, such as hydrogen evolution and Zn dendrite formation. Significantly, the advances in materials discovery and innovation in device configuration have improved the performance of AZIBs in all aspects, including durability, operating voltage range, energy/power density, and economic availability. Different electrolyte components are investigated intensively to suppress the side reaction on the Zn anodes. However, further improvements are needed, especially for realizing the requirement for high energy density and high stability scenarios. The recent progress of AZIBs technology, such as facile electrolyte components and additives for aqueous AZIBs will be discussed in this talk.
Because of long lifetime objectives and cost control, encapsulation is a critical point for the commercialization of perovskite PV technologies. Indeed, degradation mechanisms related to atmosphere ingress requires the use of high gas barrier materials which prevent the diffusion of gases for decades and the development of encapsulation methods which wont damage the devices. In this talk, after introducing the topic, we will highlight some methods we developed in CEA in order to assess encapsulating materials and how it could help to establish efficient encapsulation strategies with a controlled cost.
Location: Plaza in front of the Building 18.
To devise a sustainable energy portfolio under the planetary and practicality constraints, we must consider a hybrid model of renewable-energy-powered low-carbon fossil fuel production as a transitional energy technology. Such untethered demand would also provide the natural growth and gradual implementation flexibility that the green hydrogen industry needs to build to scale. At the heart of a potential transitional energy technology platform is synthesis gas (syngas), a mixture of gaseous carbon monoxide and hydrogen. Syngas is currently the primary source of hydrogen for fuel cell vehicles and has been the core building block in the chemicals industry for liquids, particularly alcohols, olefins, and low molecular weight fuels. We have recently developed a Ni-Mo-MgO nanocatalyst that facilitates syngas production from the dry reforming of methane without coking or sintering, even after 35 days of continuous operation. Since it is known that switching syngas production from steam reforming to dry reforming could provide gigatons of CO2 avoidance without significantly altering our lifestyle, this emissions relief could provide the necessary time for a successful implementation of future energy technologies. In such a syngas economy, chemicals and transition fuels would be made using syngas from dry reforming of hydrocarbons and green hydrogen water electrolysis. An estimated 15-50% reduction in carbon emissions is possible without any change to the infrastructure. Further reductions would be introduced if syngas was produced from a range of sources, such as biomass, waste, plastics, or paper, and the direct conversion of syngas to more chemicals was feasible.
There is increasing interest in harnessing sunlight to drive the synthesis of molecular fuels and chemicals, including in particular water photolysis to yield molecular oxygen and hydrogen. This can be achieved either through the coupling of photovoltaic cells and electrolysis, or through direct sunlight conversion by photoelectrodes or photocatalysts, the latter being the focus of this talk. In solar conversion, there is often a critical kinetic mismatch between the lifetimes of initially generated photoexcited states and the timescales of charge extraction / catalysis. I will start my talk by introducing solar driven fuel synthesis, and the charge carrier lifetime challenge in photoelectrochemical and photocatalytic systems. I will contrast this with the smaller lifetime challenges in organic and perovskite solar cells. I will then go on to discuss some of our recent studies employing transient optical spectroscopies measuring charge carrier dynamics in photoelectrodes and photocatalysts and how these impact upon the efficiency of solar driven water splitting, covering a range of metal oxide and polymer materials. I will consider the importance of d-orbital occupancy in metal oxide photocatalysts in determining charge carrier lifetimes. I will then go on to discuss carbon nitride and organic polymer photocatalysts, and the impact of charge trapping and heterojunctions in extending the lifetime of charge carriers. I will conclude by contrast charge carrier dynamics on organic bulkheterojunction solar cells and photocatalysts nanoparticle suspensions, and in particular the ability of aqueous environments to supress charge carrier recombination.
Reduction of carbon dioxide has as main objective the production of useful organic compounds and fuels - renewable fuels - in which solar energy would be stored. Molecular catalysts can be employed to reach this goal, either in photochemical or electrochemical (or combined) contexts. They may in particular provide excellent selectivity thanks to easy tuning of the electronic properties at the metal and of the ligand second and third coordination sphere. Recently it has been shown that such molecular catalysts may also be tuned for generating highly reduced products such as formaldehyde, methanol and methane, leading to new exciting advancements. Likewise, hybridization of these catalysts with conductive or semi-conductive materials may lead to enhance stability and new catalytic properties, as well as the development of devices for applications.This strategy bridges between homogeneous and heterogeneous catalysis, and it raises fundamental questions that may further lead to breakthrough in CO2 reduction chemistry. Our recent results in these various areas will be discussed, using earth abundant metal (Fe, Co) porphyrins and phthalocyanines as well as related polypyridine based catalysts.
The OPV technology is in constant development and in early market adopters’ installations. Throughout the last seven years, Sunew is strongly leading the market expansion and the OPV volume production with more than 18.000m² of OPV produced. To achieve these marks, Sunew focused on developing robust process procedures, rigorous quality control methods and validated testing protocols to guarantee uniformity from batch to batch, independent of external factors. A presentation and discussion of the production process evolution throughout the years, how to keep up with the technology's constant innovation, the challenges from simple scaling up of ink preparation to complex understanding of the effect of high voltage and current on the organic panel durability.
Ever since the demonstration of the first organic photovoltaic (OPV) cell in the late 1980s, there has been the vision of low-cost solar electricity generation from thin, lightweight, flexible and sustainable devices. Global megatrends demand such products as they provide aesthetic value to objects, structures and buildings besides pure energy harvesting. Nowadays, customized OPV has become a unique solution besides other well-known photovoltaic technologies. The ability to translate thin photoactive films into any shape and their integration into any kind of surface is a game changer and creates a paradigm shift in the energy sector as energy can now be generated and consumed directly at the point of use. The talk will focus on ASCA’s pioneering work in the commercialization of OPV and the numerous projects realized within the latest years that showcase the market readiness of the technology. In addition, technological and manufacturing process related innovations and trends will be discussed.
It will be demonstrated the development of a series of conjugated polymers based on the donor-acceptor (D-A) approach consisting of benzodithiophene and quinoxaline derivatives as the electron rich and deficient building block that when employed as electron donor components at organic solar cells exhibit high performance and stability, simultaneously. Moreover, it will be shown how the highest occupied molecular orbital (HOMO) can be precisely control by only an atom change at the side substituents. This allowed for a detailed analysis when matching the energy levels of polymer donors and small molecule acceptors. Therefore, we were able to investigate organic solar cells with highest occupied molecular orbital energy level offsets (ΔEHOMO) between 0 - 300 meV. It will be shown that exciton quenching at negligible ΔEHOMO takes place on timescales approaching the intrinsic exciton lifetimes, drastically limiting external quantum efficiency. This finding it is quantitatively described via the Boltzmann steady-state equilibrium between charge transfer states and excitons and further reveal a long exciton lifetime as a decisive design criterion for maintaining efficient charge generation at negligible ΔEHOMO. Moreover, the Boltzmann equilibrium quantitatively describes the major reduction in non-radiative voltage losses at very small ΔEHOMO.
Currently global government and private industrial investments in renewable energy are ramping up due to rising climate concerns and Net-Zero commitment. Solar PV technologies are low-carbon solutions, yet the carbon footprint of conventional solar panels can be quite significant due to toxic materials and their manufacturing process. In this presentation, we’ll compare how CO2 is saved with alternative solar energy with solar panel carbon footprints. Recently, top manufacturers are trending towards a low cost, light weight, and shape transformable integrated solution. Therefore, a thin flexible printable photovoltaic cell has great potential to be the top choice for the future generation solar cell market leaders. The local R&D initiatives in OPV technology are aligned with Saudi Aramco future focus on Non-metallic materials use of its oil resources. Most of the mass of OPV type solar cell is consisted of petrochemical-based organic materials in the recent configuration. Mega Construction projects and smart city trends in GCC, will increase demands for Solar energy, which offers high potential in values chain processes, localization output, market transformation and sustained growth. it was estimated that Billions of Square meters of unused building surfaces are available for OPV type module application, most of which is not suitable for conventional Solar Panels. A business case was estimated for OPV solar module and investment opportunities were explained. We’ll discuss solar emissions impacts and discuss some local market trends on sustainable technologies in relation with localization prospects.
Seaside atrium of University Library
In recent years, direct arylation polymerization (DArP) has attracted increasing interest as a method to prepare conjugated polymers in contrast to conventional cross-coupling polymerizations. The most appealing aspects of DArP are reduced organometallic waste and improved step economy as no organometallic prefunctionalization is required. DArP is distinguished as a sustainable and atom-economic approach for constructing C-C bonds over traditional coupling methods by features including generating benign by-products and only requiring functionalization of one component with routine and bench-stable halogens. However, DArP is not without issue – specifically, selectivity and control over the polymerization can be difficult to achieve.
Synergistic catalysis involves the use of more than catalyst to activate different substrates to enable reactions that were not achievable before. In light of the aforementioned issues related to DArP, our group has been investigating the use of the combination of Pd/Ag or Au/Ag as synergistic catalysts.
Our studies began with the development of a controlled DArP to achieve polymers with targeted molecular weights and low dispersities. Since we were unable to achieve controlled DArP using a single catalyst, we chose to use two metals (i) one that would perform the C-H activation followed by (ii) one that would perform the controlled polymerization. While the achieve molecular weights were quite low, nevertheless, we were able to show some living characteristics for the polymerization.
We then tackled the synthesis of donor-acceptor copolymers using cross dehydrogenative coupling (CDC). While standard DArP involves the cross-coupling between C-Br and C-H groups, CDC entails cross-coupling between C-H and C-H groups. As such, selectivity becomes a very important issue and there must be a way to ensure that only cross-coupling products are obtained and not homocoupling products. In this regard, the Pd/Ag cocatalyzed CDC reaction has been reported to be highly effective, and we were able to uncover the origin of this efficacy. We uncovered that the second chain extension cross-coupling proceeds much more efficiently than the first cross-coupling and the homocoupling side reaction (at least 1 order of magnitude faster) leading to unexpectedly low homocoupling defects and high molecular weight polymers. Based on DFT calculations, the high cross-coupling rate in the second cross-coupling was ascribed to the strong Pd-thiophene interaction in the Pd-mediated C–H bond activation transition state, which decreases the energy barrier of the Pd-mediated C–H bond activation. These results have implications beyond polymerizations and can be used to ease the synthesis of a wide range of molecules where C–H bond activation may be the limiting factor.
Dye-sensitized solar cells (DSSCs) are devices easy to manufacture that have attractive characteristics for building integrated photovoltaics (BIPV). In recent years, many organic dyes have been developed for this application and some of them have demonstrated promising performances, allowing the fabrication of solar cells and modules combining high efficiency, transparency and stability. [1-2] Photochromic dyes are molecules that possess unique optical properties that can be controlled by light absorption. So far, they have been exploited in various fields, including optics, biomedicine and optoelectronics but rarely in photovoltaics. Recently, we have undertaken the task to develop pushpull photochromic dyes for using them as photosensitizers in DSSCs. These dyes have a donor-piacceptor structure incorporating a central photochromic unit such as diphenyl-naphthopyran, spiroindoline-naphthoxazine or -naphthopyran. Their optical, photochromic and acidochromic properties have been thoroughly studied and structureproperty relationships have been established before evaluating their potential as photoactive materials in solar cells. In this paper, we will disclose the synthesis strategies to access these molecules and their optoelectronic properties. We will demonstrate that these photochromic dyes can act as effective photosensitizers in DSSCs. [3-4-5-6] We will show that the solar cells embedding them are capable of varying their colour, can adapt their visible light transmission depending on illumination conditions and simultaneously convert light into electricity. We will also present the fabrication of photochromic semi-transparent mini-modules. Our work opens new application perspectives for photochromic dyes, and provides new research directions for designing solar cells with dynamic optical properties.
Printable organic photovoltaic solar cells (OPV), i.e. polymer solar cells, have now reached impressive power conversion efficiencies at lab scale up to 19%. It is one crucial milestone towards the deployment of OPV products in real life. OPV holds many promisses including potential low cost, large scale, low temperature processing, low energy payback time, low carbon footprint for the production of photovoltaic modules exempt of critical raw materials. However, today, not all are yet scientifically achieved. For example, commercially available OPV modules suffer from low PCE, from 3 to 5 % (30-50 Wp/m2) and are made with still costly raw materials mostly processed from organic solvents. It is a matter of time for the industrial players to catch up with recent academic research to push industrial OPV performances further. This presentation will focuss on three of our recent results: (1) a doping strategy to enable a homojunction hole exctration layer for improved efficiency and stability of OPV, (2) the processing of OPV active layer from water based inks as the ultimate non-toxic, responsible printing with record efficiencies thanks to nanoparticules control and surface energy matching, (3) the investigation on the impact of synthesis impurities, such as metal catalyst residues, on the performances of OPV to design a strategy for cost-effective purification of raw materials. The presentation will close on some real life outdoor OPV energy yield considerations. Will be presented the results on recent products from Héole for marine decarbonation, such as the first OPV sail designed full-sized (92 m2) on a 52” catamaran, released in spring 2022, under testing since then
10:30 AM: Soyeong Jang (KAUST), Manipulation of molecular packing overcomes the σ-S trade-off in DPP based n-type thermoelectrics.
10:45 AM: Tanner Smith (University of Kentucky), Enhancing Photostability in Acene-based Semiconductors.
11:00 AM: Furkan H. Isikgor (KAUST), Defect engineering strategies for improving the performance of perovskite-based tandem solar cells.
11:15 AM: Ryan Sullivan (Wake Forest University), High-Performance Molecular Rectifiers Enhanced by Intermolecular Charge Transfer.
11:30 AM: Martina Rimmele (Imperial College London), Design of a conjugated polymer library for the identification of a low-cost and scalable donor material for organic solar cells.
11:45 AM: Pia Dally (KAUST), Surface analysis of perovskite material by Photoelectron spectroscopy methods.
This talk will present our efforts to develop mapping and real-time forecasting capabilities of solar energy resources for the Kingdom. Building on our regional high-resolution data-driven atmospheric modeling system and its long-term climatology product that we have developed at KAUST as part of the Virtual Red Sea Initiative, we are exploring the most efficient approaches, in terms of computing cost, data requirements and performances, for solar energy resources mapping and forecasting making use of all available information from in-situ and satellite observations, and physics and numerics. We are currently investigating the best combinations of the computationally demanding regional general circulation atmospheric models and the much cheaper but data-dependent Machine Learning models. I will discuss the current status of these ongoing efforts and showcase the supporting real-time online visualization-analytics tools that we are developing to provide user-friendly access to the large datasets that are outputted by the systems.
Photovoltaics (PV) are becoming a major source of electricity in the 21st century. PV power plants are becoming larger and larger and contain millions of solar panels. Inspecting these large quantities of panels for quality control requires new methods that are currently being developed. A cornerstone of these methods is the use of artificial intelligence to identify defects and quantify their impact on power generation and revenue. In this talk, I will present recent developments at the Helmholtz Institute for Renewable Energies Erlangen-Nürnberg in Germany on how AI methods can be used to extract information from monitoring data, process field images and generate automated inspection routines. Drone based imaging systems have the potential to provide detailed information that enables predictions at an unprecedented level.
Despite its resounding success, lithium ion battery technology has some drawbacks that has motivated researchers around the world to look for future alternative battery technologies. These include safety issues, material abundance and cost, and geographical distribution of lithium. Aqueous zinc ion batteries are currently one of the most actively investigated battery technologies in the hope that it can one day replace lithium ion batteries. This is because aqueous zinc ion batteries are safe, environmentally friendly, use more abundant and cheaper materials, have somewhat suitable redox potential, which can minimize side reactions in aqueous electrolyte, and divalent charge which increases energy density. Despite these promises, aqueous zinc batteries suffer from several side reactions that degrade their stability and Coulombic efficiency. We have been developing strategies to mitigate these effects, including cathode material design, anode material surface treatments and passivation, and electrolyte and solvation structure engineering. In this talk, I will discuss some of the recent results from our group aiming to address these issues in zinc metal batteries.
Owing to the advancement in new material design over the past few years, the power conversion efficiencies (PCE) of organic photovoltaics (OPV) have reached over 19% for single-junction and over 20% for multi-junction devices. In this talk, I will first reveal the structure-property relationships of the state-of-the-art OPVs based on new-generation acceptor materials, showing that the special molecular packing of the acceptor is the key reason for its exceptional photovoltaic property. Second, I will highlight our work on using optical management as a powerful means to enhance OPVs' performance by maximizing the devices' light-harvesting properties. I will discuss how to apply high throughput optical model to rapidly screen more than 10 million device structures to identify the very best device design not only for extremely high-performance semitransparent OPVs, but also for organic/organic and perovskite/organic tandem solar cells.
Precise determination of structural organization of semiconducting polymers is of paramount importance for the further development of these materials in organic electronic technologies, as solid-state microstructure and optoelectronic properties are highly interlinked. Yet, prior characterization of some of the best-performing materials for transistor and photovoltaic applications often resulted in conundrums in which X-ray scattering and microscopy yielded seemingly contradicting results and. In this presentation I will discuss that the paradox above stems from the fact the microstructure of these materials does not seem to fit with stablished structural models for polymers, i.e. the amorphous, semi-crystalline and paracrystalline models, and, hence, these polymers require the introduction of a new structural organization model. Thus, we introduced the semi-paracrystallinity. The semi-paracrystalline model establishes that the microstructure of these materials contains a dense array of small paracrystalline domains and more disordered regions. Thus, unlike other models, the overall structural order relies on two parameters: the novel concept of degree of paracrystallinity (i.e., paracrystalline volume/mass fraction) and the lattice distortion parameter of paracrystalline domains (g-parameter from X-ray scattering). I will show that charge carrier transport in semi-paracrystalline materials is particularly sensitive to the interconnection of paracrystalline domains. Because the semi-paracrystalline microstructure seems to be a common feature among many semiconducting polymers, these results can have profound implications in the broad organic electronics arena, where device operation models and device optimization protocols must now include the semi-paracrystalline organization.
Soft electronic materials such as organic semiconductors have attracted a huge interest for display, sustainable energy and healthcare applications. These applications include organic light-emitting diodes (OLED), photovoltaics (OPV), photodetectors (OPD), electrochemical transistors (OECT) and solar fuel devices. One of the key challenges for the development of these devices is a fundamental understanding of the organic semiconductor thin films in terms of their structure-property relationship. Although promising, there is still a lack of clear understanding of the impact of molecular structures on photophysical and electrochemical processes, and device structures on interfacial energetics and properties, which are critical for high-performance organic optoelectronic devices.
In this talk, I will introduce our recent work in OPV and OPD research areas. First, I will discuss the importance of molecular design on efficiency and photostability of OPV materials with a particular focus on non-fullerene acceptors. Second, I will discuss the molecular origin of high-performance in OPD devices, showing the key differences between OPD and OPV devices in terms of their operational mechanisms and requirements for molecular design. As such, it is now critical to understand the molecular origins in much deeper detail than before to direct synthesis of organic semiconductors in more promising directions.
Lead-based halide perovskites are most prominent candidates for emerging opto-electronic applications. In this talk I will overview ‘in silico’ efforts towards finding new Pb-free semiconductors that are alternatives to traditional halide perovskites, for which ab initio methods successfully revealed a series of new compounds within the so-called halide double perovskites family and vacancy ordered perovskites. Among these, I will discuss the case of Cs2AgBiBr6 which exhibits the narrower indirect band gap of 1.9 eV, and Cs2AgInCl6, the only direct band gap semiconductor, yet with a large gap of 3.3 eV. All of them exhibit low carrier effective masses and consequently, are prominent candidates for a range of opto-electronic applications such as photovoltaics, light-emitting devices, sensors, and photo-catalysts. We will specifically outline the computational ab initio design strategy that led to the synthesis of these compounds, and particularly focus on the insights we can get from first-principles calculations in order to facilitate the synthesis, improve their opto-electronic properties and the in-silico identification of compounds with properties that are similar to the lead-halide perovskites. The newly developed concept of analogs will lead us to identify a new oxide double perovskite semiconductor: Ba2AgIO6, which exhibits an electronic band structure remarkably similar to that of our recently discovered halide double perovskite Cs2AgInCl6, but with a band gap in the visible range at 1.9 eV. The developed approach will be employed to describe the opto-electronic properties of challenging complex materials like the case of Ag-Bi halide double salts, develop a consistent symmetry-based approach to model these, and employ the model to establish their potential performance as solar-cell absorbers. Finally, I will further address the exploration of the phase space of vacancy-ordered double perovskite like Cs2SnI6, Cs2TeI6 and also present the case of Zr-based compounds as stable alternates to Cs2TiX6 with X=Br,I, which exhibit lighter charge carrier effective masses. I will show state-of-the-art calculations to accurately describe their optical, excitonic properties and its fine-structure, in order to unveil the limitations and opportunities for their potential technological application.
My talk will introduce the Nature Research portfolio of journals with a particular focus on applied sciences and engineering research publishing. I will talk about the motivation behind the launch of some of our new journals, what we hope to achieve and their editorial scope. I will give an overview of the editorial processes and the journey an article undergoes between submission and publication, discussing what the editors are looking for in a Nature paper. I will conclude with a few comments about our recent publishing initiatives and policies.
ENOWA and KAUST are entering a strategic research and development partnership where a number of cutting-edge applications are expected to be developed in the domains in Energy and Water utilities. The presentation is an overview of select activities that pertain to the R&D in Solar energy space.
Patent is not the only protection one can seek. There are various types of Intellectual properties such as trademark, copyright and trade secrets which might be more appropriate to use. Learn more about them and when might be appropriate to use them.
Please meet the KSC lab team in the conference registration area at 11:00 am.