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Principles Of Electronic Materials And Devices

1D semiconductor nanowires for energy conversion, harvesting and storage applications

DOI: 10.1002/aenm.201900903 perovskite SCs with a highest PCE of 24.2%.[7] For other optoelectronic devices, remarkable progress has also been made with solution process techniques.[4a,b,5,8] These achievements all demonstrate the possibility of realization of low-cost and large-scale optoelectronic devices for practical applications. The development of high efficiency and good stability of optoelectronic devices are not only ascribed to the evolution of the photoactive layers but also significantly benefited from the advance of the interface layer. Generally, optoelectronic devices are multilayered structures with the photoactive layers sandwiched between two kinds of electrode and their corresponding carrier transport layers (CTLs), namely, hole transport layer (HTL) and electron transport layer (ETL). Solution process for CTLs is the film-formation approach of CTLs with a solvent medium including precursor approach (directly dissolve precursors in a solvent for deposition then converting into metal oxide) and nanocrystal approach (obtaining metal oxide nanocrystals and then dispersing in a solvent for deposition), which is different to the vacuum deposition techniques (such as thermal evaporation, sputtering, atomic layer deposition, etc.). To achieve costeffective and large-scale fabrication, it is desirable to deposit all the layers by solution-processed approaches due to its low cost and compatibility to large-scale techniques. Many inorganic and organic materials have been demonstrated as CTL by solution process, such as metal oxides (e.g., ZnO, TiOx, and NiOx), polymers and small molecules (e.g., PEDOT:PSS, PCBM, and C60), and metal salts (e.g., LiF, and Cs2CO3). There are some impressive and comprehensive reviews to summarize the development of these CTLs.[1b,12] Metal oxides have been intensively studied due to their unique optical, electrical, and mechanical properties. For instance, metal oxide–based CTL not only favors the formation of Ohmic contact between the photoactive layer and electrodes for effectively extracting (or injecting) charge out of (into) the photoactive layer but also contributes to other functions and performance improvements, such as enhanced light absorption in organic SCs,[10a,13] stability and ion blocking in perovskite SCs,[10c,14] and light extraction in LED. Besides, modification on CTL for tuning their properties has been demonstrated as an efficient and effective approach to achieve high-performance optoelectronic devices, such as plasma/ultraviolet-ozone treatment,[15] nanocomposite,[10a,16] With the remarkable progress in solution-processed optoelectronics, high performance is required of the carrier transport/injection layer. Ternary oxides containing a variety of crystal structures, and adjustable composition that results in tunable optical and electrical properties, are one of the promising class of candidates to fulfill the requirements of carrier transport/injection layers for high-performance and stable optoelectronic devices. Solutionprocessed ternary oxides have seen considerable progress in recent decades, due to their advantages in the quest to design low-cost, high-performance, large-scale, and stable optoelectronic devices. Herein, the recent advances of solution-processed ternary oxides are reviewed. The first section consists of a brief introduction to the topic. In the following section, the fundamentals of the effect of tuning ternary oxide composition are summarized. Section three briefly reviews the synthesis approaches for preparing ternary oxides. Section four discusses the recent progress of solution-processed ternary oxide as carrier transport/injection layer in optoelectronic devices (such as organic solar cells, perovskite solar cells, organic light emitting diodes, etc.). In this section, the impact of controlling ternary oxide composition on device performance and stability is highlighted. Finally, a brief summary and an outlook are given. Optoelectronics

Solution-Processed Ternary Oxides as Carrier Transport/Injection Layers in Optoelectronics

https://onlinelibrary.wiley.com/doi/pdf/10.1002/smsc.202000015

Interface Engineering in Organic Electronics: Energy-Level Alignment and Charge Transport

Solution-process fine metal-oxide nanoparticles are promising carrier transport layer candidates for unlocking the full potential of solution process in solar cells, due to their low cost, good stability, and favorable electrical/optical properties. However, exotic organic ligands adopted for achieving small size and monodispersion can mostly cause poor conductivity, which thus impedes their electrical application. In this work, a concept of constructing a hypocrystalline intermediate is proposed to develop a general method for synthesizing various ternary metal oxide (TMO) nanoparticles with a sub-ten-nanometer size and good dispersibility without exotic ligands. Particularly, a guideline is summarized based on the understandings about the impact of metal ion intercalation as well as water and anion coordination on the hypocrystalline intermediate. A general method based on the proposed concept is developed to successfully synthesize various sub-ten-nanometer TMO nanoparticles with excellent ability for forming high-quality (smooth and well-coverage) films. As an application example, the high-quality films are used as hole transport layers for achieving high-performance (stability and efficiency) organic/perovskite solar cells. Consequently, this work will contribute to the development of TMO for large-scale and high-performance optoelectronic devices and the concept of tailoring intermediate can leverage the fundamental understandings of synthesis strategies for other metal oxides.

A General Method: Designing a Hypocrystalline Hydroxide Intermediate to Achieve Ultrasmall and Well‐Dispersed Ternary Metal Oxide for Efficient Photovoltaic Devices

Optoelectronic applications with transparent conducting oxides have been made possible by modulating the carrier density of wide band gap oxides with doping. We demonstrate the modulation of the density of states (DOS) at the Fermi level in nanocrystalline CuAlO2 particles synthesized using a sol–gel technique, as a function of doping with a magnetic impurity (Ni). This behavior is directly correlated with structural studies using X-ray diffraction and magnetic properties which show a similar trend. Our results can be understood in a picture where charge hopping occurs through surface or defect states, rather than by direct hopping between the quantum-confined states of the nanocrystal, and an increase in the DOS at the Fermi level caused by the substitution of Ni atoms at the Al site.

https://pubs.acs.org/doi/pdf/10.1021/acsomega.7b01690

Tuning the Electronic and Magnetic Properties of CuAlO2 Nanocrystals Using Magnetic Dopants

Charge transport in organic thin films which are generally polycrystalline is typically limited by the localization of the carriers at lattice defects resulting in low carrier mobilities and carriers move from one state to another state by hopping. However, charge transport in organic semiconductors in their single crystalline phase is coherent due to band conduction and mobilities are not limited by disorder resulting in higher carrier mobility. So it is a challenge to enhance the carrier mobility in a thin film which is the preferred choice for all organic devices. Here, we show that it is possible to increase the carrier mobility in polycrystalline thin films by injecting sufficient carriers such that Fermi level can be moved into the region of high density in Gaussian density of states of molecular solids. When the hopping transport happens through the molecular energy levels whose density is low, mobility is decided by incoherent transport however, when the the hopping transport happens through the energy levels with high density, mobility is decided by coherent transport, as in band conduction. We present results highlighting the observation of both band-like and hopping conduction in polycrystalline organic thin films by varying the concentration of injected charge. More importantly the transition from hopping to band transport is reversible. The observed carrier mobilities in both the regimes match well with theoretical estimates of hopping mobility and band mobility determined from first principles density functional theory.

/pdf/carrier-induced-hopping-to-band-conduction-in-pentacene-20gspib07e.pdf

Carrier Induced Hopping to Band Conduction in Pentacene.

We demonstrate formation of material consisting of three-dimensional Germanium nanowire network embedded in an insulating alumina matrix. A wide range of such nanowire networks is produced using a simple magnetron sputtering deposition process. We are able to vary the network parameters including its geometry as well as the length and width of the nanowires. The charge transport in these materials is shown to be related to the nanowire surface per unit volume of the material, α. For low values of α, transport is characterized by space charge limited conduction and a drift of carriers in the extended states with intermittent trapping-detrapping in the localized states. For large values of α, charge transport occurs through hopping between localized electronic states, similar to observations in disorder-dominated arrays of quantum dots. A crossover between these two mechanisms is observed for the intermediate values of α. Our results are understood in terms of an almost linear scaling of the characteristic trap energy with changes in the nanowire network parameters.

/pdf/influence-of-structure-on-electronic-charge-transport-in-3d-2k87us2jgo.pdf

Influence of Structure on Electronic Charge Transport in 3D Ge Nanowire Networks in an Alumina Matrix

We study the permeability of atomic hydrogen in monolayer hexagonal boron nitride (h-BN) and graphene using first-principles density functional theory-based simulations. For the specific cases of physisorption and chemisorption, barrier heights are calculated using the nudged elastic band approach. We find that the barrier potential for physisorption through the ring is lower for graphene than for h-BN. In the case of chemisorption, we have studied three specific cases where the H atom passes through by making bonds with the atoms at different sites in the ring. The chemisorption barrier height for graphene is found to be, in general, higher than that of h-BN. We conclude that the dominant mechanism of tunnelling through the graphene sheet and h-BN sheets would be physisorption and chemisorption, respectively.

Rapid communication: Permeability of hydrogen in two-dimensional graphene and hexagonal boron nitride sheets

The permeability of atomic hydrogen in monolayer hexagonal Boron Nitride(h-BN) and graphene has been studied using first-principles density functional theory based simulations. For the specific cases of physisorption and chemisoroption, barrier heights are calculated using the nudged elastic band approach. We find that the barrier potential for physisorption through the ring is lower for graphene than h-BN. In the case of chemisorption, where the H atom passes through by making bonds with the atoms in the ring, the barrier potential for the graphene was found to be higher than that of h-BN. We conclude that the penetration of H atom with notable kinetic energy ( 3eV) H-atoms have a higher chance to penetrate through h-BN than graphene.

Nirat Ray

Papers

Tuning the Electronic and Magnetic Properties of CuAlO2 Nanocrystals Using Magnetic Dopants

Carrier Induced Hopping to Band Conduction in Pentacene.

Influence of Structure on Electronic Charge Transport in 3D Ge Nanowire Networks in an Alumina Matrix

Rapid communication: Permeability of hydrogen in two-dimensional graphene and hexagonal boron nitride sheets

Permeability of two-dimensional graphene and hexagonal-boron nitride to hydrogen atom