Energy Safety Research Institute

The metaverse has the potential to extend the physical world using augmented and virtual reality technologies allowing users to seamlessly interact within real and simulated environments using avatars and holograms. Virtual environments and immersive games (such as, Second Life, Fortnite, Roblox and VRChat) have been described as antecedents of the metaverse and offer some insight to the potential socio-economic impact of a fully functional persistent cross platform metaverse. Separating the hype and “meta…” rebranding from current reality is difficult, as “big tech” paints a picture of the transformative nature of the metaverse and how it will positively impact people in their work, leisure, and social interaction. The potential impact on the way we conduct business, interact with brands and others, and develop shared experiences is likely to be transformational as the distinct lines between physical and digital are likely to be somewhat blurred from current perceptions. However, although the technology and infrastructure does not yet exist to allow the development of new immersive virtual worlds at scale - one that our avatars could transcend across platforms, researchers are increasingly examining the transformative impact of the metaverse. Impacted sectors include marketing, education, healthcare as well as societal effects relating to social interaction factors from widespread adoption, and issues relating to trust, privacy, bias, disinformation, application of law as well as psychological aspects linked to addiction and impact on vulnerable people. This study examines these topics in detail by combining the informed narrative and multi-perspective approach from experts with varied disciplinary backgrounds on many aspects of the metaverse and its transformational impact. The paper concludes by proposing a future research agenda that is valuable for researchers, professionals and policy makers alike.

Daily temperature variations induce phase transitions and lattice strains in halide perovskites, challenging their stability in solar cells. We stabilized the perovskite black phase and improved solar cell performance using the ordered dipolar structure of β-poly(1,1-difluoroethylene) to control perovskite film crystallization and energy alignment. We demonstrated p-i-n perovskite solar cells with a record power conversion efficiency of 24.6% over 18 square millimeters and 23.1% over 1 square centimeter, which retained 96 and 88% of the efficiency after 1000 hours of 1-sun maximum power point tracking at 25° and 75°C, respectively. Devices under rapid thermal cycling between -60° and +80°C showed no sign of fatigue, demonstrating the impact of the ordered dipolar structure on the operational stability of perovskite solar cells.

Sluggish adoption of emerging electronic government (eGov) applications continues to be a problem across developed and developing countries. This research tested the nine alternative theoretical models of technology adoption in the context of an eGov system using data collected from citizens of four selected districts in the state of Bihar in India. Analysis of the models indicates that their performance is not up to the expected level in terms of path coefficients, variance in behavioural intention, or the fit indices of the models. In response to the underperformance of the alternative theoretical models to explain the adoption of an eGov system, this research develops a unified model of electronic government adoption and tests it using the same data. The results indicate that the proposed research model outperforms all alternative models of technology adoption by explaining 77 % of variance in behavioural intention, with acceptable values of fit indices and significant relationships between each pair of hypothesised factors.

Abstract Along with horizontal drilling techniques, multi-stage hydraulic fracturing has improved shale gas production significantly in past decades. In order to understand the mechanism of hydraulic fracturing and improve treatment designs, it is critical to conduct modelling to predict stimulated fractures. In this paper, related physical processes in hydraulic fracturing are firstly discussed and their effects on hydraulic fracturing processes are analysed. Then historical and state of the art numerical models for hydraulic fracturing are reviewed, to highlight the pros and cons of different numerical methods. Next, commercially available software for hydraulic fracturing design are discussed and key features are summarised. Finally, we draw conclusions from the previous discussions in relation to physics, method and applications and provide recommendations for further research.

The output power–voltage (P–V) curve of a solar photovoltaic (PV) power system shows a single peak under an even irradiation environment, nevertheless, but often exhibits seriously nonlinear multi-peak characteristics under partial shading conditions (PSCs). Then, traditional maximum power point tracking (MPPT) control methods may fail to find the maximum power point (MPP). Many different MPPT control methods have been proposed to adjust the peak power output and improve the generating efficiency of the PV system. In this paper, the main MPPT techniques for PV systems are reviewed and summarized, and divided into three groups according to their control theoretic and optimization principles. Especially, the advantages and disadvantages of the MPPT techniques for PV system under PSCs are compared and analyzed. Finally, possible future research directions for MPPT are discussed.

Abstract Organic–inorganic hybrid perovskite solar cells (PSCs) are currently attracting significant interest owing to their promising outdoor performance. However, the ability of indoor light harvesting of the perovskites and corresponding device performance are rarely reported. Here, the potential of planar PSCs in harvesting indoor light for low‐power consumption devices is investigated. Ionic liquid of 1‐butyl‐3‐methylimidazolium tetrafluoroborate ([BMIM]BF 4 ) is employed as a modification layer of [6,6]‐phenyl‐C61‐butyric acid methyl ester) (PCBM) in the inverted PSCs. The incorporation of [BMIM]BF 4 not only paves the interface contact between PCBM and electrode, but also facilitates the electron transport and extraction owing to the efficient passivation of the surface trap states. Moreover, [BMIM]BF 4 with excellent thermal stability can act as a protective layer by preventing the erosion of moisture and oxygen into the perovskite layer. The resulting devices present a record indoor power conversion efficiency (PCE) of 35.20% under fluorescent lamps of 1000 lux, and an impressive PCE of 19.30% under 1 sun illumination. The finding in this work verifies the excellent indoor performance of PSCs to meet the requirements of eco‐friendly economy.

Alkaline electrolysis using a zero gap configuration combines the efficiency of PEM with the cost efficiency of alkaline.

A strategy to modulate the electrocatalytic activity of copper toward CO2 reduction involving adsorption of acrylamide, acrylic acid, and allylamine polymers is presented. Modification of electrodeposited copper foam with poly(acrylamide) leads to a significant enhancement in faradaic efficiency for ethylene from 13% (unmodified foam) to 26% at −0.96 V vs RHE, whereas methane yield is unaffected. Effects from crystalline phase distribution and copper oxide phases are ruled out as the source of enhancement through XPS and in situ XRD analysis. DFT calculations reveal that poly(acrylamide) adsorbs on the copper surface via the oxygen atom on the carbonyl groups and enhances ethylene formation by (i) charge donation to the copper surface that activates CO for dimerization, (ii) chemical stabilization of the CO dimer (a key intermediate for C2 products) by hydrogen-bond interactions with the −NH2 group, and (iii) facilitating the adsorption of CO molecules near the polymer, increasing local surface coverage. Poly(acrylamide) with copper acts as a multipoint binding catalytic system where the interplay between activation and stabilization of intermediates results in enhanced selectivity toward ethylene formation. Modification with poly(acrylic acid) which has a similar structure to poly(acrylamide) also shows some enhancement in activity but is unstable, whereas poly(allylamine) completely suppresses CO2 reduction in favor of the hydrogen evolution reaction.

Abstract Short-term traffic parameter forecasting is critical to modern urban traffic management and control systems. Predictive accuracy in data-driven traffic models is reduced when exposed to non-recurring or non-routine traffic events, such as accidents, road closures, and extreme weather conditions. The analytical mining of data from social networks – specifically twitter – can improve urban traffic parameter prediction by complementing traffic data with data representing events capable of disrupting regular traffic patterns reported in social media posts. This paper proposes a deep learning urban traffic prediction model that combines information extracted from tweet messages with traffic and weather information. The predictive model adopts a deep Bi-directional Long Short-Term Memory (LSTM) stacked autoencoder (SAE) architecture for multi-step traffic flow prediction trained using tweets, traffic and weather datasets. The model is evaluated on an urban road network in Greater Manchester, United Kingdom. The findings from extensive empirical analysis using real-world data demonstrate the effectiveness of the approach in improving prediction accuracy when compared to other classical/statistical and machine learning (ML) state-of-the-art models. The improvement in predictive accuracy can lead to reduced frustration for road users, cost savings for businesses, and less harm to the environment.

Abstract In this report, highly efficient and humidity‐resistant perovskite solar cells (PSCs) using two new small molecule hole transporting materials (HTM) made from a cost‐effective precursor anthanthrone (ANT) dye, namely, 4,10‐bis(1,2‐dihydroacenaphthylen‐5‐yl)‐6,12‐bis(octyloxy)‐6,12‐dihydronaphtho[7,8,1,2,3‐ nopqr ]tetraphene (ACE‐ANT‐ACE) and 4,4′‐(6,12‐bis(octyloxy)‐6,12‐dihydronaphtho[7,8,1,2,3‐ nopqr ]tetraphene‐4,10‐diyl)bis( N , N ‐bis(4‐methoxyphenyl)aniline) (TPA‐ANT‐TPA) are presented. The newly developed HTMs are systematically compared with the conventional 2,2′,7,7′‐tetrakis( N , N ′‐di‐ p ‐methoxyphenylamino)‐9,9′‐spirbiuorene (Spiro‐OMeTAD). ACE‐ANT‐ACE and TPA‐ANT‐TPA are used as a dopant‐free HTM in mesoscopic TiO 2 /CH 3 NH 3 PbI 3 /HTM solid‐state PSCs, and the performance as well as stability are compared with Spiro‐OMeTAD‐based PSCs. After extensive optimization of the metal oxide scaffold and device processing conditions, dopant‐free novel TPA‐ANT‐TPA HTM‐based PSC devices achieve a maximum power conversion efficiency (PCE) of 17.5% with negligible hysteresis. An impressive current of 21 mA cm −2 is also confirmed from photocurrent density with a higher fill factor of 0.79. The obtained PCE of 17.5% utilizing TPA‐ANT‐TPA is higher performance than the devices prepared using doped Spiro‐OMeTAD (16.8%) as hole transport layer at 1 sun condition. It is found that doping of LiTFSI salt increases hygroscopic characteristics in Spiro‐OMeTAD; this leads to the fast degradation of solar cells. While, solar cells prepared using undoped TPA‐ANT‐TPA show dewetting and improved stability. Additionally, the new HTMs form a fully homogeneous and completely covering thin film on the surface of the active light absorbing perovskite layers that acts as a protective coating for underlying perovskite films. This breakthrough paves the way for development of new inexpensive, more stable, and highly efficient ANT core based lower cost HTMs for cost‐effective, conventional, and printable PSCs.

A detailed analysis is reported of the organic composition of produced water samples from typical shale gas wells in the Marcellus (PA), Eagle Ford (TX), and Barnett (NM) formations. The quality of shale gas produced (and frac flowback) waters is a current environmental concern and disposal problem for producers. Re-use of produced water for hydraulic fracturing is being encouraged; however, knowledge of the organic impurities is important in determining the method of treatment. The metal content was determined by inductively coupled plasma optical emission spectrometry (ICP-OES). Mineral elements are expected depending on the reservoir geology and salts used in hydraulic fracturing; however, significant levels of other transition metals and heavier main group elements are observed. The presence of scaling elements (Ca and Ba) is related to the pH of the water rather than total dissolved solids (TDS). Using gas chromatography mass spectrometry (GC/MS) analysis of the chloroform extracts of the produced water samples, a plethora of organic compounds were identified. In each water sample, the majority of organics are saturated (aliphatic), and only a small fraction comes under aromatic, resin, and asphaltene categories. Unlike coalbed methane produced water it appears that shale oil/gas produced water does not contain significant quantities of polyaromatic hydrocarbons reducing the potential health hazard. Marcellus and Barnett produced waters contain predominantly C6-C16 hydrocarbons, while the Eagle Ford produced water shows the highest concentration in the C17-C30 range. The structures of the saturated hydrocarbons identified generally follows the trend of linear > branched > cyclic. Heterocyclic compounds are identified with the largest fraction being fatty alcohols, esters, and ethers. However, the presence of various fatty acid phthalate esters in the Barnett and Marcellus produced waters can be related to their use in drilling fluids and breaker additives rather than their presence in connate fluids. Halogen containing compounds are found in each of the water samples, and although the fluorocarbon compounds identified are used as tracers, the presence of chlorocarbons and organobromides formed as a consequence of using chlorine containing oxidants (to remove bacteria from source water), suggests that industry should concentrate on non-chemical treatments of frac and produced waters.

We present a new class of superhydrophobic surfaces created from low-cost and easily synthesized aluminum oxide nanoparticles functionalized carboxylic acids having highly branched hydrocarbon (HC) chains. These branched chains are new low surface energy materials (LSEMs) which can replace environmentally hazardous and expensive fluorocarbons (FCs). Regardless of coating method and curing temperature, the resulting textured surfaces develop water contact angles (θ) of ∼155° and root-mean-square roughnesses (Rq) ≈ 85 nm, being comparable with equivalent FC functionalized surfaces (θ = 157° and Rq = 100 nm). The functionalized nanoparticles may be coated onto a variety of substrates to generate different superhydrophobic materials.

An account of the fundamental chemical and engineering principles of solid amine-based CO 2 adsorbents and their industrial application, with discussion of the relevance of amine chemistry in CO 2 utilisation technology.

H NMR spectroscopy. Samples of UiO-66 having different degrees of defectivity were exchanged using solutions of several terephthalic acid analogues in a range of conditions. Linker exchange only occurred in defect-free UiO-66, whereas monocarboxylates grafted at defect sites were found to be preferentially exchanged with respect to terephthalic acid over the whole range of conditions investigated. A 1:1 exchange ratio between the terephthalic acid analogue and modulator was observed, providing evidence that the defects had missing-cluster nature. Ex situ characterisation of the MOF powders after exchange corroborated these findings and showed that the physical-chemical properties of the MOF depend on whether the functionalisation occurs at defective sites or on the framework.

Electrocatalysis plays a prominent role in the development of carbon dioxide utilisation technologies. Many new and improved CO2 conversion catalysts have been developed in recent years, progressively achieving better performance. However, within this flourishing field, a disconnect in catalyst performance evaluation has emerged as the Achilles heel of CO2 electrolysis. Too often, catalysts are assessed in electrochemical settings that are far removed from industrially relevant operational conditions, where CO2 mass transport limitations should be minimised. To overcome this issue, gas diffusion electrodes and gas-fed electrolysers need to be developed and applied, presenting new challenges and opportunities to the CO2 electrolysis community. In this review, we introduce the reader to the fundamentals of gas diffusion electrodes and gas-fed electrolysers, highlighting their advantages and disadvantages. We discuss in detail the design of gas diffusion electrodes and their operation within gas-fed electrolysers in both flow-through and flow-by configurations. Then, we correlate the structure and composition of gas diffusion electrodes to the operational performance of electrolysers, indicating options and prospects for improvement. Overall, this study will equip the reader with the fundamental understanding required to enhance and optimise CO2 catalysis beyond the laboratory scale.

Abstract Perovskite solar cells based on an all printable mesoporous stack, made of overlapping titania, zirconia, and carbon layers, represent a promising device architecture for both simple, low‐cost manufacture, and outstanding stability. Here a breakthrough in the upscaling of this technology is reported: Screen printed modules on A4 sized conductive glass substrates, delivering power conversion efficiency (PCE) ranging from 3 to 5% at 1 sun on an unprecedented 198 cm 2 active area. An increase in the PCE, due to higher V OC and fill factor, is demonstrated by patterning the TiO 2 blocking layer. Furthermore, an unexpected increase of the performance is observed over time, while storing the modules in the dark, unencapsulated, at ambient conditions (with humidity increasing from 30 and 70% RH), resulting in 6.6% PCE and 6.3% stabilised at V max measured after over two months since fabrication. Equally impressive is the low light performance with 11 and 18% PCE achieved respectively at 200 and 1000 lux under fluorescent lighting. It is hoped that this demonstration of good performance on large area can unlock the viability of perovskite solar cells manufactured on an industrial scale.

Abstract Nonfullerene acceptors (NFAs) dominate organic photovoltaic (OPV) research due to their promising efficiencies and stabilities. However, there is very little investigation into the molecular processes of degradation, which is critical to guiding design of novel NFAs for long‐lived, commercially viable OPVs. Here, the important role of molecular structure and conformation in NFA photostability in air is investigated by comparing structurally similar but conformationally different promising NFAs: planar O‐IDTBR and nonplanar O‐IDFBR. A three‐phase degradation process is identified: i) initial photoinduced conformational change (i.e., torsion about the core–benzothiadiazole dihedral), induced by noncovalent interactions with environmental molecules, ii) followed by photo‐oxidation and fragmentation, leading to chromophore bleaching and degradation product formation, and iii) finally complete chromophore bleaching. Initial conformational change is a critical prerequisite for further degradation, providing fundamental understanding of the relative stability of IDTBR and IDFBR, where the already twisted IDFBR is more prone to degradation. When blended with the donor polymer poly(3‐hexylthiophene), both NFAs exhibit improved photostability while the photostability of the polymer itself is significantly reduced by the more miscible twisted NFA. The findings elucidate the important role of NFA molecular structure in photostability of OPV systems, and provide vital insights into molecular design rules for intrinsically photostable NFAs.

A simple defect engineering approach to systematically tune the band gap of the prototypical zirconium-based metal–organic framework UiO-66 is reported. Defect engineered materials display enhanced photocatalytic activity.

Abstract The charge carrier dynamics in organic solar cells and organic–inorganic hybrid metal halide perovskite solar cells, two leading technologies in thin‐film photovoltaics, are compared. The similarities and differences in charge generation, charge separation, charge transport, charge collection, and charge recombination in these two technologies are discussed, linking these back to the intrinsic material properties of organic and perovskite semiconductors, and how these factors impact on photovoltaic device performance is elucidated. In particular, the impact of exciton binding energy, charge transfer states, bimolecular recombination, charge carrier transport, sub‐bandgap tail states, and surface recombination is evaluated, and the lessons learned from transient optical and optoelectronic measurements are discussed. This perspective thus highlights the key factors limiting device performance and rationalizes similarities and differences in design requirements between organic and perovskite solar cells.

In September 2018, the First European Workshop on Metal Phosphonates Chemistry brought together some prominent researchers in the field of metal phosphonates and phosphinates with the aim of discussing past and current research efforts and identifying future directions. The scope of this perspective article is to provide a critical overview of the topics discussed during the workshop, which are divided into two main areas: synthesis and characterisation, and applications. In terms of synthetic methods, there has been a push towards cleaner and more efficient approaches. This has led to the introduction of high-throughput synthesis and mechanochemical synthesis. The recent success of metal–organic frameworks has also promoted renewed interest in the synthesis of porous metal phosphonates and phosphinates. Regarding characterisation, the main advances are the development of electron diffraction as a tool for crystal structure determination and the deployment of in situ characterisation techniques, which have allowed for a better understanding of reaction pathways. In terms of applications, metal phosphonates have been found to be suitable materials for several purposes: they have been employed as heterogeneous catalysts for the synthesis of fine chemicals, as solid sorbents for gas separation, notably CO2 capture, as materials for electrochemical devices, such as fuel cells and rechargeable batteries, and as matrices for drug delivery.