Transparent Conductive Materials Research Articles

Indium-free nonmetal and Nb co-doped anatase TiO2 transparent conductive oxide materials for photovoltaic applications: From first-principles calculations to macroscopic simulation

Various researchers have attempted to design indium-free transparent conductive materials. This study first employed density functional theory combined with the Hubbard U parameter to predict the photoelectric properties of nonmetal (B, C, N, F, P, and S) and Nb co-doped anatase TiO2. The results indicate that Ti0.875Nb0.125O1.96875N0.03125, Ti0.9375Nb0.0625O1.96875F0.03125, Ti0.875Nb0.125O1.96875P0.03125 and Ti0.9375Nb0.0625O1.96875S0.03125 possess characteristics of n-type semiconductors with high transmittance, exceptional thermal stability and wide bandgap. Notably, Ti0.9375Nb0.0625O1.96875S0.03125 exhibits optimal electronic conductivity due to its lower effective mass and higher electron concentration. Then, we used the SCAPS-1D solar cell simulation software to simulate the macroscopic characteristics of the MASnI3-based perovskite solar cell with Ti0.9375Nb0.0625O1.96875S0.03125 transparent conductive oxide layer based on the microscopic properties computed at the density functional theory level. A maximum efficiency of 27.17 % is obtained by regulating the thickness, electron affinity, and defect density of Ti0.9375Nb0.0625O1.96875S0.03125 layer and the thickness of MASnI3 absorber layer. The findings highlight the tremendous potential of Ti0.9375Nb0.0625O1.96875S0.03125 as an indium-free transparent conductive oxide candidate material for photovoltaic applications.

FSS based high gain optically transparent MIMO antenna for Sub-6 GHz 5G mid-band applications

A novel optically transparent Multi Input Multi Output (MIMO) antenna design positioned on a Frequency-Selective Surface (FSS) for gain improvement while maintaining a simple fabrication procedure. Transparent conductive materials inherently exhibit higher sheet impedance due to lower conductivity, resulting in decreased antenna gain and radiation efficiency. To address this limitation, an optically transparent FSS is incorporated beneath the MIMO structure to improve radiation characteristics. Utilizing a Malinex substrate and a conductive silver oxide sheet, the 4-element MIMO design achieves both transparency and MIMO operability. The operational bandwidth spans from 3.09 GHz to 3.7 GHz, with a percentage bandwidth of 17.96 %, ensuring port isolation of over 20 dB. With the presence of the FSS, a consistent gain enhancement of approximately 3.46 dBi is achieved, with an average gain within the band reaching 4.56 dBi. The proposed design employs a simplified fabrication process while addressing aesthetic concerns and providing a solution to the existing issue of low gain in conductive metal oxide-based transparent antennas.

Heterodyne-Detected Sum-Frequency Generation Vibrational Spectroscopy Reveals Aqueous Molecular Structure at the Suspended Graphene/Water Interface.

Graphene, a transparent two-dimensional conductive material, has brought extensive new perspectives and prospects to various aqueous technological systems, such as desalination membranes, chemical sensors, energy storage, and energy conversion devices. Yet, the molecular-level details of graphene in contact with aqueous electrolytes, such as water orientation and hydrogen bond structure, remain elusive or controversial. Here, we employ surface-specific heterodyne-detected sum-frequency generation (HD-SFG) vibrational spectroscopy to re-examine the water molecular structure at a freely suspended graphene/water interface. We compare the response from the air/graphene/water system to that from the air/water interface. Our results indicate that the spectrum recorded from the air/graphene/water system arises from the topmost 1-2 water layers in contact with the graphene, with the graphene itself not generating a significant SFG response. Compared to the air/water interface response, the presence of monolayer graphene weakly affects the interfacial water. Graphene weakly affects the dangling O-H group, lowering its frequency through its interaction with the graphene sheet, and has a very small effect on the hydrogen-bonded O-H group. Molecular dynamics simulations confirm our experimental observation. Our work provides molecular insight into the interfacial structure at a suspended graphene/water interface, relevant to various technological applications of graphene.

Facile and dynamic infrared modulation of durable VO2/CuI films for smart window applications

Vanadium dioxide (VO2) has been widely investigated as a smart window material due to its excellent thermochromic properties. However, with the increasing abundance of studies on VO2-based structures, its low solar modulation capability, environmental durability and high phase transition temperature have limited its commercial applications. Finding a simple way to solve the above problems simultaneously remains challenging. Here, we propose a bilayer structure combining VO2 and a transparent conductive material, copper iodide (CuI), for functional integration of thermochromic smart windows. The CuI layer is used as an anti-reflective layer and a protective layer to ensure high solar modulation capability (ΔTsol=15.41 %) and good expected service life (ESL=27 years), while realizing the dynamic modulation of infrared spectra at room temperature by Joule heating. This facile structure with overall performance offers a new possibility for the commercialization of VO2-based smart windows and room temperature dynamic modulation of infrared devices.

Molybdenum doped indium oxide thin films grown on mica substrates with high near-infrared transparency and electron mobility for flexible optoelectronic and spintronic applications

In the era of the artificial intelligence, flexible multifunctional films that combine optical transparency, electrical conductivity, and ferromagnetism are highly beneficial for many advanced applications. Herein, we fabricated a flexible magnetic transparent conductor molybdenum doped indium oxide (IMoO) thin film on a mica substrate using a pulsed laser deposition (PLD) technique. The valence states of Mo dopants were determined to be Mo4+ and Mo6+ by X-ray photoelectron spectroscopy (XPS) analysis. From the measured optical transmittance spectrum, average visible (Vis) and near-infrared (NIR) transmittance (Tave_Vis and Tave_NIR) values in IMoO film are calculated to be 85.9 % and 85.4 %, respectively. The IMoO film shows an electron mobility (μe) of around 113 cm2 V−1 s−1 and a sheet resistance (Rs) of 69 Ω. We illustrate the benefits of Mo doping, which leads to increased NIR transparency and μe compared to commercially available tin-doped indium oxide (ITO). On the other hand, the IMoO film shows clear magnetic hysteretic behaviors at room temperature, indicating the presence of ferromagnetism. The main origin of the ferromagnetism is presumably attributed to the Mo4+ ions with an electronic configuration of 4 d2. Bending cyclic tests reveal favourable mechanical durability and bending stability in the IMoO/mica films. Our systematic investigation demonstrates that IMoO film possesses a superior optoelectronic performance beyond ITO, Mn-doped indium oxide (IMnO), and Sn-Mn-codoped indium oxide (ITMnO), substantiating the potential of the IMoO/mica film as a high-performance transparent conductive magnetic material for flexible optoelectronic and spintronic applications.

Delafossite NaYTe2 as a transparent conductive material with bipolar conductivity: A first-principles prediction

Doping asymmetry is a long-standing issue for the progress of wide-bandgap semiconductors, including also several transparent conductors. However, a few compounds exhibit bipolar conductivity, implying a desired band gap in combination with proper energy positions of the band edges according to the empirical doping limit rule. The present first-principles study of delafossite NaYTe2 reveals that the compound is thermodynamic stable with an optical gap energy of ∼3.0 eV and an ionization potential of 6.2 eV, and the electronic structure is thus in the range for realizing bipolar character as a transparent conductive material. In addition, the analysis of the defect properties strengthens this prediction, especially for high free carrier concentration in NaYTe2, obtained by either extrinsic doping or intrinsic defects under suitable growth conditions.

Electronic and optical properties for Li1-xAgxAlTe2 alloys: potential transparent conductive material

Using the hybrid functionals combining the special quasi-random structure methods, the properties of LiAlTe2, AgAlTe2, and their alloys (Li1-xAgxAlTe2) are studied. Our study confirms that both LiAlTe2 and AgAlTe2 are direct wide-band gap semiconductors. Moreover, LiAlTe2 possesses high transmittance in the visual light region. Lattice constants and volume of Li1-xAgxAlTe2 alloys satisfy Vegard’s law. The band gaps express nonlinear behavior with the component x, and the optical bowing parameter (b Eg ) is 0.13. The carriers’ effective mass for Li1-xAgxAlTe2 alloys is rapidly decreased by the presence of Ag. When Ag component reaches 0.125, the electron (hole) effective mass is 0.225 (0.271) m0 (m0: static electron’s mass), and the band gap is 3.034 eV. Low transition temperature suggests Li1-xAgxAlTe2 alloys are stable under experimental conditions. Meanwhile, the Li1-xAgxAlTe2 alloys express excellent ductility, which is beneficial for future flexible device applications. Wide band gap, smaller electron (hole) effective mass, thermodynamic stability, and high transmittance in the visual light region indicate Li0.875Ag0.125AlTe2 alloy is a promising transparent conductive material.

Preparation of Transparent Conductive Films Using Carbon Nanotubes

Carbon nanotubes (CNTs), since the discovery by Iijima, have attracted tremendous interests in scientific research mainly due to their exceptional structure and physical properties. The high aspect ratio, light weight, extraordinary stiffness, and strength make CNTs a potentially very functional material to be used in polymer nanocomposites application. Carbon nanotubes are single or multilayered coaxial tubes of six-membered ring networks composed of carbon. It is an allotrope of carbon and is sometimes classified as a type of fullerene. Carbon nanotubes are expected to be applied to materials that normally do not conduct heat or electricity, such as resin, rubber, ink, and paint. In addition, it is expected to be applied to the electronics field because of its conductivity and thermal conductivity even in small quantities and high strength when made into long lengths. One of the problems of CNTs is the tendency of CNTs to aggregate with each other due to intermolecular interactions. In the aggregated state, CNTs cannot exhibit their inherently useful characteristics, and therefore, a technology to disperse CNTs at the nano-level is required. Currently, two major methods are being considered for dispersing CNTs: The first is dispersion by chemical modification. By introducing carboxylic acid into strong acid treated CNTs and introducing hydrophilic or hydrophobic substituents here, solubilization in water or organic solvents is possible. However, there is a problem that this destroys the structure of CNTs and thus greatly impairs their original properties.The other method is to physically disperse CNTs. This is a very simple method that uses ultrasonic irradiation to loosen bundled CNTs, but the dispersion is only temporary, and re-agglomeration occurs quickly. Problems have also been reported, such as excessive ultrasonic irradiation destroying the structure of the CNTs. We have succeeded in producing CNTs nano dispersion gels by adding an aromatic compound to agglomerated CNTs and applying agitation and ultrasonic irradiation. The following describes the process of preparing CNTs dispersion gels. After agglomerated CNTs are temporarily dispersed by ultrasonic irradiation, an aromatic compound (dispersant) is added and mixed and agitated. The dispersed CNTs and the aromatic compound are combined by π-π interaction, and the aromatic compound is adsorbed on the CNTs surface. When CNTs molecules adsorbed with aromatic compounds approach each other, the aromatic compounds on the surface form π-π interactions. At this point, the CNTs are in a gel-like state. Since this dispersion gel does not chemically modify the CNTs, it can be prepared without destroying the structure of the CNTs. The CNTs gel proved to be free from aggregation even after the dispersant component was removed, and the network structure was maintained. In addition, this dispersion gel shows high electrical conductivity because the CNTs are dispersed three-dimensionally and the CNTs form three-dimensional conductive paths in the gel.Next, we introduce the preparation of CNT composite resin. CNT composite resin is prepared by adding binder resin to the carbon nanotube dispersion gel prepared earlier, mixing, and stirring, and ultrasonic irradiation. A transparent conductive film is created by forming the prepared CNT composite resin on a glass slide. In recent years, transparent conductive films have been in high demand due to the development of electronics products, and the use of CNTs as the main material is expected to significantly reduce the cost of development, as they are less expensive than Metallic materials such as indium tin oxide and can be stably supplied. The challenge of this research is that the amount of black CNTs added, which imparts conductivity, significantly affects the transparency of the transparent conductive film. Therefore, it is necessary to select aromatic compounds and resin materials that achieve both high conductivity and transparency with low amounts of added CNTs from a molecular chemistry perspective. In our previous research, we focused on the chemical bonding between resin materials and CNTs for the first time and attempted to improve electrical conductivity by using hydrogen bonding for CNTs. In addition, by combining polycarbonate, which exhibits high transparency and impact resistance, with CNT dispersion gel, we attempted to fabricate a transparent conductive film with high durability. As a result, we succeeded in developing a transparent conductive film material with performance applicable to touch panels.In this study, CNTs dispersion gels prepared with aromatic compounds were evaluated using absorbance measurements and Raman spectroscopy. The Raman spectra measurements allowed us to quantitatively evaluate the interaction between SWCNTs and aromatic compounds. The possibility of charge-transfer complex formation was also suggested by the results of absorbance measurements. Figure 1

Superior Conductivity of Transparent ZnO/MoS2 Composite Films for Optoelectronic and Solar Cell Applications.

The use of transparent conductive oxides in optoelectronics created a revolution where new-generation materials with high transmittance, low sheet resistance values, durability, and portability can be achieved without decreasing efficiency or increasing costs. Transparent ZnO/MoS2 sandwich-structured conductive composite films were produced in this study via the sol-gel method, which is considered the most efficient method due to its simple process and low cost. The crystal structure properties of ZnO/MoS2 were characterized via X-ray diffraction (XRD) patterns. The crystal sizes of ZnO films doped with different amounts of MoS2 were determined. A UV-visible absorption spectrometer was used to perform the spectroscopic analysis of the film. The area under the absorption curve and the full width of the half-maxima of absorbance data were calculated. Using these values, the optimum amount of MoS2 was determined for the best additive distribution. In addition, in order to determine the best transparent conductive material, resistance values measured via the four-point probe method were compared for different MoS2 additive amounts. The optical and electrical characterizations of transparent ZnO/MoS2 conductive oxide films were investigated. According to the parameters obtained via UV-vis spectroscopy, XRD, and four-point probe measurements, the most effective dispersion that exhibits a low width ratio and high resonance ratio was found for ZnO/MoS2 with a doping amount of 4 mg, the crystallite size of the films was found to be within the range of 21.5 and 24.6 nm, and these observations demonstrated a figure-of-merit value of more than 4.8 × 10-2 with respect to these sandwich-structured films. Compared to the values of previous studies on various transparent ZnO-doped conductive oxide materials, it is possible to claim that these new films have a structure that is very similar to the transparent conductivity characteristics of other films, and they may even be superior relative to some MoS2 amounts.

Impact of air exposure on growth rate and electrical properties of SnO2 thin films by atmospheric pressure spatial atomic layer deposition

SnO2 thin film is one of the most studied transparent conductive materials that can be deposited using vacuum-free techniques such as atmospheric pressure spatial atomic layer deposition (AP-SALD). This work studies SnO2 thin films prepared from tin(II) acetylacetonate and water vapor, with a particular focus on the impact of air exposure during the AP-SALD process on the growth rate and electrical properties of the films. In-situ resistance measurements and ex-situ Hall effect characterization demonstrated that longer exposure time of the growing film surface to the open air (t air) at 240 °C led to conductivity degradation, while the film thickness decreases. The theoretical calculations show that −OH and (oxygen molecule adsorbed on the five-coordinated Sn atom, also called O2 dimer) are the two most stable surface structures. The formation of is shown as the most thermodynamically favorable oxygen-related species on SnO2(110) surface formed when the film is exposed to the open air, giving rise to both the decrease of film thickness (associated with the desorption of −OH surface groups) and the increase of film resistivity versus t air. The optimized polycrystalline SnO2 sample demonstrated relatively good electrical performance, including an electrical resistivity of 9.3 × 10−3 Ω.cm, carrier density of 9.2 × 1019 cm−3, and Hall mobility of 7.3 cm2 V−1 s−1 at a growth temperature as low as 240 °C. Our findings reveal the critical impact of processing in the open air on the electrical conductivity of the obtained SnO2 films by AP-SALD coating technology.

Study of the electronic properties of pure nanostructured hexagonal Zinc Oxide by DFT method

(ZnO) Zinc oxide is considered a semiconducting material from the family of transparent conductive oxide materials. Our study aims to study the electronic properties of pure Nano-sized hexagonal zinc oxide using the DFT method using the (GGA-PBE) approximation and the (HSE03) approximation, as we demonstrated through our study on the unit cell In the large cell (3×3×3) and the small cell (1×1×1), zinc oxide has a direct energy gap in the (GGA-PBE) approximation, and its value is (e V) 1.74) and in the (HSE03) approximation, the value of the energy gap is (e V2.79). The difference in the two approximations is very clear, and it is evidence that when using the (GGA-PBE) approximation for the DFT method, it reduces the value of the energy gap for zinc oxide, and when using the (HSE03) approximation, the energy gap increases because it is more mathematically accurate, even though it takes more time to calculate.

CEEM: a Chemically Explainable Deep Learning Platform for Identifying Compounds with Low Effective Mass.

The semiconductor industry occupies a crucial position in the fields of integrated circuits, energy, and communication systems. Effective mass (mE ), which is closely related to electron transition, thermal excitation, and carrier mobility, is a key performance indicator of semiconductor. However, the highly neglected mE is onerous to measure experimentally, which seriously hinders the evaluation of semiconductor properties and the understanding of the carrier migration mechanisms. Here, a chemically explainable effective mass predictive platform (CEEM) is constructed by deep learning, to identify n-type and p-type semiconductors with low mE . Based on the graph network, a versatile explainable network is innovatively designed that enables CEEM to efficiently predict the mE of any structure, with the area under the curve of 0.904 for n-type semiconductors and 0.896 for p-type semiconductors, and derive the most relevant chemical factors. Using CEEM, the currently largest mE database is built that contains 126335 entries and screens out 466 semiconductors with low mE for transparent conductive materials, photovoltaic materials, and water-splitting materials. Moreover, a user-friendly and interactive CEEM web is provided that supports query, prediction, and explanation of mE . CEEM's high efficiency, accuracy, flexibility, and explainability open up new avenues for the discovery and design of high-performance semiconductors.

Structure, optical, and electrical properties of layered oxychalcogenide Sr2ZnCu2(S1−x Se x )2O2 (0 ≤ x ≤ 1) compounds

Layered oxychalcogenide Sr2ZnCu2(S1-x Se x )2O2 compounds were synthesized via a solid-state reaction. Density functional theory calculations indicate different valence band maximum, Sr2ZnCu2Se2O2 was composed of Cu 3d–Se 4p, while Sr2ZnCu2S2O2 was dominated by the Zn 3d–O 2p hybrid orbital. Band gap was decreased as the Se-containing is increasing, from 2.5 eV to 2.2 eV. In contrast, electrical conductivity of the Se-substituted samples considerably increased from 10−3 S cm−1 at x = 0 to 10−1 S cm−1 at x = 0.25, and was almost the same at x = 1. Based on this feature, Sr2ZnCu2(S1-x Se x )2O2 can be applied as a transparent conductor material.

Overview of the Current State of Flexible Solar Panels and Photovoltaic Materials.

The rapid growth and evolution of solar panel technology have been driven by continuous advancements in materials science. This review paper provides a comprehensive overview of the diverse range of materials employed in modern solar panels, elucidating their roles, properties, and contributions to overall performance. The discussion encompasses both traditional crystalline silicon-based panels and emerging thin-film technologies. A detailed examination of photovoltaic materials, including monocrystalline and polycrystalline silicon as well as alternative materials such as cadmium telluride (CdTe), copper indium gallium selenide (CIGS), and emerging perovskite solar cells, is presented. Furthermore, the impact of transparent conductive materials, encapsulation polymers, and antireflective coatings on solar panel efficiency and durability is explored. The review delves into the synergistic interplay between material properties, manufacturing processes, and environmental considerations. Through a comprehensive survey of materials utilized in modern solar panels, this paper provides insights into the current state of the field, highlighting avenues for future advancements and sustainable solar energy solutions.

Highly Conductive Polysiloxane Elastomers with Excellent Transparency, Resilience, and Stretchability.

Flexible transparent conductive materials show great potential in wearable electronics, flexible sensors, and so on. But the most used flexible conductive materials like hydrogels and ionogels suffer from evaporation and solvent leakage. For the application in these fields, integrated performances of preeminent resilience, transparency, stability, and conductivity that do not change with deformation are prerequisites. It is still challenging to handle the trade-off among these performances. Herein, a facile approach is established to balance these properties into one elastomer. Through the thiol-ene click reaction, mercaptopropyl-modified polydimethylsiloxane (mPDMS) is cross-linked and grafted by PEG-based macromonomers to prepare conductive elastomers. By anchoring with mPDMS through carbon-sulfur bonds, PEG can be evenly dispersed, resulting in ultratransparency (97%) and stable conductivity of as high as 1.68 × 10-2 S m-1, comparable to pure PEG/lithium salt conductivity. It also has a wide electrochemical stability window with a high voltage of 4.8 V. Moreover, the multibond network strategy is employed through grafting ligand 1-vinylimidazole to mPDMS to construct dynamic cross-links between Zn(II) and 1-vinylimidazol, bestowing excellent properties to the elastomers. Overall, elastomers with a well-balanced performance of high resilience, good conductivity, and ultratransparency are obtained, providing promising applications for soft electronics, lithium battery electrolytes, and flexible devices.

Toward development of dual optical and electrical cell‐based biosensor: An investigation on electrode geometry and transparent conductive material function

AbstractHerein is explored a dual optical and electrical cell based biosensor that can provide insights into cellular events. The fabrication steps along with the electrical characterization of the microelectrodes is described. Initial experiments show that the ability of indium tin oxide (ITO) to detect biological cells at the electrode‐cell layer interface mainly depends on the size of sensing area. Following this, the impact of conductivity was also explored to assess the real time impedance signal during the adhesion of a non‐confluent layer of the cells on different substrates. Electrodes with a higher conductivity than ITO gave much higher senstivity of impedance changes which allowed the dynamics of subtle cellular morphology changes to be monitored at densities far lower than a confluent layer of cells. Finally, the capability of ITO and gold microelectrode as a functional readout for G protein couple receptor activation were determined. These set of analyses highlighted the challenges and opportunities of ITO substrate as a dual cell‐based assay for quantitative analysis of subtle changes in cell morphology.

High figure-of-merit in Al-doped ZnO thin films grown by ALD through the Al content adjustment

The development of transparent conductive materials is of great interest for a wide variety of semiconducting devices in the fields of optoelectronics and photovoltaics. Here, we optimize the growth and properties of aluminum-doped ZnO (AZO) thin films as an eco-friendly transparent electrode by using atomic layer deposition (ALD) with diethylzinc (DEZn), water vapor and trimethylaluminium (TMA) as zinc, oxygen, and aluminum chemical precursors, respectively. The cycle ratio of DEZn to TMA using ALD is adjusted to control the Al atomic concentration over a broad range of 0.3 - 6.7% while optimizing the structural, optical, and electrical properties of AZO thin films. By incorporating a sufficient amount of Al dopants around 1.1%, we obtain a high quality AZO thin film exhibiting a low electrical resistivity of 6.3 × 10−4 Ω·cm. This AZO thin film grown on quartz substrate also demonstrates an average optical transmittance in the visible range above 85% as well as a high figure-of-merit of 6.4 × 10−3 Ω−1, while maintaining its highly c-axis oriented structure. The present optical and electrical properties result in the fabrication of AZO thin films by ALD with a high figure-of-merit that is highly suitable for many semiconducting devices.

Tungsten doped indium oxide (IWO) transparent electrode used in air-annealed perovskite solar cells

The common transparent electrode materials used in perovskite solar cells (PSCs), for example, the tin-doped indium oxide (ITO), usually have low carrier mobility and low transmittance in the near-infrared region which limits the short circuit current density (JSC). Accordingly, it is urgent to seek a novel transparent conductive material with high mobility and high transmittance. In this work, the tungsten doped indium oxide (IWO) film, composed of 0.5 wt% WO3 and 99.5 wt% In2O3, is employed in PSCs to act as the transparent electrode. The IWO-based PSCs exhibit superior performance as compared with the ITO-based counterparts mainly due to the excellent opto-electrical properties of IWO, such as high carrier mobility and infrared transmittance, fine surface morphology, etc. The performance of devices is further optimized by air-annealing treatment of the absorber layer. Air-annealing improves the crystallinity, decreases the defect states, and as a result, inhibits the non-radiative recombination. In summary, we fabricated the champion device based on IWO with the JSC of 26.2 mA/cm2 and its power conversion efficiency achieves 23.64%, the maximum record of IWO-based PSCs.

Photovoltaic technologies photo-thermal challenges: Thin active layer solar cells significance

Massive energy demand and source of energy usages is the key root of global emission and climate change. Solar photovoltaic (PV) is low carbon energy technology currently 3.2% share of global electricity supply. The rapid progress of solar PV is vastly related to increase energy efficiency and lessening of active materials usage. This paper solar PV present significance and most prospective PV materials technical challenges are reviewed for its future advancement. Among the challenges solar energy absorption-related dynamic photo-thermal effect on cells or modules is vital. Transparent passivation contact materials with lower temperature coefficient (TC) and thin active layer resulted in lowering both dynamic photo-thermal outcome and optical to electrical energy gap. Thin active layer minor bulk recombination and sub-band parasitic absorption lessening purpose transparent conductive materials (TCM) based proper band barrier heterointerface is impending. It can optimize desired band absorption and photo-coupling with selective carrier induces greater efficiency. Earlier research though explains it on carrier selectivity prejudice, but how it can lessen the near infrared band optical and associated thermal influence is essential to illustrated. Passivation and TC interrelations hence, field related drift is control over diffusion process loss in advanced bifacial and thin active layer PV technology. Loss lessening pathways thin wafer-based Si, thin film CdTe, organic and perovskite photo coupling with advanced TCM, thus, Si/CdTe and Si/perovskite tandem cells along with OSC building integrated transparent photovoltaic technologies advancement pathways are reported.

Hydrolysis and condensation of monobutyltin chloride: reaction process analysis with DFT.

As the initial process of preparing transparent conductive oxide materials from monobutyltin chloride (MBTC) to tin oxide, the hydrolysis and condensation of MBTC to form a dimer Sn2 play a critical role. However, the specific mechanism of this process is still unclear. Here we develop a step-by-step searching method based on density functional theory calculation and empirical chemical criteria to determine possible reaction pathways and reveal the most likely reaction mechanism. The wave function analyses of various intermediate species provide more insights into the changes of atomic charge population, chemical bond strength, and coordination situation of central tin in the reaction process. Further investigation on the ring-containing Sn2 reveals the existence of unique three-center four-electron (3c-4e) interactions to stabilize the four-membered Sn2O2 ring structure, which serves as the true driving force for dimerization reaction. These results provide a more detailed understanding of the hydrolysis and condensation process of MBTC and would be helpful for the future optimization of the preparation process of tin oxide films.