Isolation of RuIII-bda (17-electron specie) complex with an aqua ligand (2-electron donor) is challenging due to violation of the 18-electron rule. Although considerable efforts have been dedicated to mechanistic studies of water oxidation by the Ru-bda family, the structure and initial formation of the RuIII-bda aqua complex are still controversial. Herein, we challenge this often overlooked step by designing a pocket-shape Ru-based complex 1. The computational studies showed that 1 possesses the crucial hydrophobicity at the RuV(O) state as well as similar probability of access of terminal O to solvent water molecules when compared with classic Ru-bda catalysts. Through characterization of single-crystal structures at the RuII and RuIII states, a pseudo seven-coordinate “ready-to-go” aqua ligand with RuIII...O distance of 3.62 Å was observed. This aqua ligand was also found to be part of a formed hydrogen-bonding network, providing a good indication of how the RuIII-OH2 complex is formed.

A new crosslinked polymer, called P65, with appropriate photo-electrochemical, opto-electronic, and thermal properties, has been designed and synthesized as an efficient, dopant-free, hole-transport material (HTM) for n-i-p type planar perovskite solar cells (PSCs). P65 is obtained from a low-cost and easily synthesized spiro[fluorene-9,9′-xanthene]-3′,6′-diol (SFX-OH)-based monomer X65 through a free-radical polymerization reaction. The combination of a three-dimensional (3D) SFX core unit, hole-transport methoxydiphenylamine group, and crosslinked polyvinyl network provides P65 with good solubility and excellent film-forming properties. By employing P65 as a dopant-free hole-transport layer in conventional n-i-p type PSCs, a power conversion efficiency (PCE) of up to 17.7% is achieved. To the best of our knowledge, this is the first time a 3D, crosslinked, polymeric dopant-free HTM has been reported for use in conventional n-i-p type PSCs. This study provides a new strategy for the future development of a 3D crosslinked polymeric dopant-free HTM with a simple synthetic route and low-cost for commercial, large-scale applications in future PSCs.

Accurate and efficient measurement techniques are needed for an exposure assessment of 5G portable devices, which are expected to utilize frequencies beyond 6 GHz with respect to radio-frequency (RF) electromagnetic field (EMF) exposure limits. At above 6 GHz, these limits are expressed in terms of the incident power density, thus requiring the EMFs to be evaluated with high precision in close vicinity to the device under test (DUT), i.e., in the near-field region of the radiating antenna. This article presents a cutting-edge near-field measurement technique suited for these needs. The technique, based on source reconstruction on a predefined surface representing the radiating aperture of the antenna, requires two sets of measurements: one of the DUT and one of a small aperture. This second measurement functions as a calibration of both the measurement probe impact on the received signal and the experimental setup in terms of the relative distance between the probe and the DUT. Results are presented for a 28- and a 60-GHz antenna array, both of which were developed for 5G applications. The computed power density is compared with simulations at evaluation planes residing as close as one fifth of a wavelength (lambda/5) away from the DUT.

Three cost-effective D-pi-D hole transport materials (HTMs) with different pi-bridges, including biphenyl (SY1), phenanthrene (SY2), and pyrene (SY3), have been synthesized via a one-pot reaction with cheap commercially available starting materials for application in organic-inorganic hybrid perovskite solar cells (PSCs). The effects of the various pi-bridges on the photophysical, electrochemical, and electrical properties, and film morphologies of the materials, as well as on the photovoltaic properties of the PSCs, have been systematically investigated accordingly. Our results clearly show that HTM-SY3 with pyrene as the pi-bridge exhibits higher hole mobility and better hole extraction/transport and film formation abilities than the other two HTMs. Devices that employed SY3 as the HTM show impressive power conversion efficiency (PCE) values of 19.08% and 13.41% in (FAPbI(3))(0.85)(MAPbBr(3))(0.15)- and CsPbI2Br-based PSCs, respectively, which are higher than those of the reference HTM-SY1- and SY2-based ones. Our studies demonstrate a promising strategy to rationally design and synthesize low-cost and efficient HTMs through structural engineering for use in PSCs.

Since 2019, 5G has been rolled out in many countries. To support the demand of increasing traffic capacity, for the first time, the millimeter-wave (mmWave) frequency spectrum is exploited for the mobile wireless telecommunication technologies. For the telecommunication industry,  many questions are raised with the advent of 5G mmWave, including what would impact the performance of mmWave antennas in a mobile terminal and how to evaluate the impacts/effects. This thesis focuses on two topics about 5G mmWave mobile antenna performance. One is the radiation performance for mmWave antennas integrated in the mobile terminal. The other is electromagnetic field (EMF) exposure from mmWave mobile antennas. 

When integrated into a mobile terminal, the radiation performance of mmWave antennas can be affected by the housing conditions, for example, phone casing and display, etc. By detailed step-by-step simulation analyses, different types of housing effects, as well as the effects of the user's hand, are investigated. The effects of realistic housing conditions are also examined with far-field measurements and near-field antenna diagnose based on the solution to the inverse problem. The analyses provide useful insights into mmWave mobile antenna design and measurements in realistic housing environments. 

The mobile terminal needs to comply with regulations on EMF exposure before putting them on the market. By carrying out multi-physics simulation hybridizing the electromagnetic problem and the thermal problem, the correlation between tissue temperature rise and incident power density generated by the mmWave antennas is studied. Various field combination methods for EMF exposure from array antenna elements are investigated with simulations and measurements, and methods for calculating the upper bound of EMF exposure from the mmWave antenna array are developed. 

Recently, the international EMF exposure guidelines have been revised, including the changes of the EMF exposure limits in the mmWave frequencies. The implications of the revised limits are investigated by assessing the maximum power and maximum equivalent isotropically radiated power (EIRP) that are allowed to be transmitted from mmWave mobile antennas in the ideal as well as realistic scenarios. The obtained results provide valuable input to the device manufacturer, network operators, and standardization bodies.

Sedan 2019 har 5G rullats ut i många länder. För att hantera den ökade efterfrågan på datakapacitet så utnyttjas för första gången frekvensspektrum inom millimetervågsområdet (mmW) för mobil kommunikationsteknik. Med tillkomsten av 5G uppkommer många frågor för telekommunikationsindustrin, såsom vad påverkar prestanda för mmW-antenner i mobila terminaler och hur utvärderar man effekterna av denna påverkan. Denna avhandling fokuserar på två aspekter kring prestanda för mmW-antenner. Den ena är strålningsprestandan för mmW-antenner integrerade i mobila terminaler, och den andra är exponering för elektromagnetiska fält (EMF) från dessa antenner. 

När en mmW-antenn är integrerad i en mobil terminal så kan strålningsprestandan påverkas av installationsförhållandena, exempelvis telefonhöljet och bildskärmen. Genom detaljerade simuleringsanalyser, steg för steg, undersöks olika typer av effekter av installationsmiljön samt effekten av användarens hand. Vidare undersöks också effekter av realistiska installationsförhållanden med hjälp av fjärrfältsmätningar och närfältsanalyser baserade på lösningar till det inversa problemet. Analyserna ger viktiga insikter om design och mätning av mmW-antenner i realistiska installationsmiljöer.

Mobila terminaler måste uppfylla krav och riktlinjer för EMF-exponering innan de sätts på marknaden. Genom att utföra multifysiksimuleringar som hybridiserar de elektromagnetiska och termiska problemen så studeras korrelationen mellan temperaturökningen i kroppsvävnad och den infallande effekttätheten från mmW-antenner. Olika fältkombinationsmetoder för EMF-exponering från gruppantennelement undersöks genom simuleringar och mätningar, och metoder för att beräkna den övre gränsen för EMF-exponering från gruppantenner i mmW-området utvecklas.

De internationella riktlinjerna för EMF-exponering, inkluderande gränsvärdena i mmW-området, har nyligen reviderats. Konsekvenserna av de reviderade gränsvärdena undersöks genom att bedöma vilken maximal uteffekt och vilken maximal ekvivalent isotropiskt utstrålad effekt (EIRP) som kan tillåtas för mobilantenner i mmW-området för både ideala och realistiska scenarier. De erhållna resultaten ger värdefull information för mobilterminaltillverkare, nätoperatörer och standardiseringsorgan.

As the fifth-generation (5G) mobile communication is utilizing millimeter-wave (mmWave) frequency bands, electromagnetic field (EMF) exposure emitted from a 5G mmWave mobile handset should be evaluated and compliant with the relevant EMF exposure limits in terms of peak spatial-average incident power density (PD). In this work, a fast PD assessment method for a 5G mmWave mobile handset using the equivalent current (EQC) method is proposed. The EQC method utilizes the intermediate-field (IF) data collected by a spherical measurement system to reconstruct the EQCs over a reconstruction surface and then computes the PD in close proximity of the mobile handset with acceptable accuracy. The performance of the proposed method is evaluated using a mmWave mobile handset mock-up equipped with four quasi-Yagi antennas. The assessed PD results are compared with those computed using full-wave simulations and also those measured with a planar near-field (NF) scanning system. In addition, three influencing factors related to the accuracy of the EQC method, namely, the angular resolution, the phase error, and the handset position in the IF measurements, are also analyzed. The proposed method is a good candidate for fast PD assessment of EMF exposure compliance testing in the mmWave frequency range.

User equipment (UE) is required to comply with the relevant radio frequency (RF) electromagnetic field (EMF) exposure limits, which are of relevance to establish the maximum permissible transmitted power and the maximum equivalent isotropically radiated power (EIRP). Recently, international RF EMF exposure guidelines, such as those published by the International Commission on Non-Ionizing Radiation Protection (ICNIRP) as well as by the IEEE, have been updated. In this paper, the implications of the revised incident power density limits are investigated in terms of maximum permissible transmitted power and the maximum EIRP for devices operating in close proximity of the user. A similar analysis is conducted according to the US Federal Communications Commission (FCC) regulation on RF exposure. EMF compliance of UE is studied by means of numerical modelling of patch antenna arrays of different array sizes taking into consideration of possible beam-steering operations, at frequencies ranging from 10 GHz to 100 GHz. The results are compared with the 3rd Generation Partnership Project (3GPP) requirements on the total radiated power (TRP) and EIRP levels. The present implications of the incident power density limits for 5G millimeter-wave UE will give valuable insights to mobile equipment manufacturers, network operators, and standardization bodies.

Single crystals of Spiro(TFSI)2 were grown, the optical and electronic properties were characterized and compared with neutral Spiro-OMeTAD. Density-functional theory was used to get insights into binding and band structure properties. The flat valence bands indicate a rather limited orbital overlap in Spiro(TFSI)2.

Luminescent solar concentrator (LSC) is a promising technology to integrate semitransparent photovoltaic (PV) systems into modern buildings and vehicles. Silicon quantum dots (QDs) are good candidates as fluorophores in LSCs, due to the absence of overlap between absorption and emission spectra, high photoluminescence quantum yield (PLQY), good stability, nontoxicity, and element abundance. Herein, LSCs based on Si QDs/polymer nanocomposites are fabricated in a triplex glass configuration. A special polymer matrix (off-stoichiometric thiol-ene, OSTE) is used, which improves Si nanocrystal quantum yield. Herein, a comprehensive investigation to improve the performance of LSCs by exploring different strategies under the guidance of a theoretical description is conducted. Among these strategies, the systematical enhancement of PLQY of the nanocomposite is achieved by tuning the thiol/allyl group ratio in the OSTE matrix. In addition, ligand selection and loading optimization for QDs reduce the total scattering loss in the device. Finally, an optical power efficiency of 7.9% is achieved for an optimized LSC prototype (9 x 9 x 0.6 cm(3), transmittance approximate to 62% at 500 nm) based on Si QDs/OSTE nanocomposite, which shows good potential of this material system in LSC fabrication.

Above 6 GHz, radio frequency (RF) electromagnetic field (EMF) exposure from the mobile communication user equipment (UE) should be assessed in terms of incident power density, rather than specific absorption rate as below 6 GHz. Such regulatory RF EMF restrictions will constrain the transmit power of the UE and its peak equivalent isotropically radiated power (EIRP). This paper provides an analysis of the peak EIRP levels of UE containing code-book-based beamforming arrays at 28 GHz and 39 GHz. Different types of antenna elements, incremental element spacing, 4- and 8-element array configurations, and realistic housing integration are considered. The analysis and results show that in realistic housing integration, the 3GPP requirements on minimum peak EIRP can be generally met under the expected RF EMF exposure restrictions.