Grazing Incidence X-ray Diffraction Experiments Research Articles

Surface structure of BaTiO<sub>3</sub> single crystal and the influence of pH value of liquid on its surface structure

Ferroelectric material is a kind of material with spontaneous polarization, and water is a common polar solvent. Due to polarity, there are complex interactions at the interface between ferroelectric materials and water/aqueous solutions. Understanding these physical processes and mechanisms is of great significance for both theoretical research and practical applications. Herein, the surface structure of (001) orientated BaTiO<sub>3</sub> with (001) direction polarization single crystal is studied by synchrotron radiation diffraction technology, and the effects of liquids with different pH values on surface structure of BaTiO<sub>3</sub> single crystal was also investigated. The results show that BaTiO<sub>3</sub> single crystal contains a surface layer with a low electron density, and due to the effect of polarity, a 2.6 nm-thick water layer is adsorbed on the surface of BaTiO<sub>3</sub> single crystal. After adding deionized water on the surface, there is no significant change in the surface layer structure of BaTiO<sub>3</sub>. Low temperature <i>in-situ</i> grazing incidence X-ray diffraction experiments indicate the presence of ice on the surface, further confirming the existence of adsorbed water layers on the surface. A hydrochloric acid solution with pH = 1 has no significant effect on the surface structure of BaTiO<sub>3</sub>, either, which is possibly due to the ability of acidic solutions to stabilize the original polarization direction. However, an NaOH solution with a pH = 13 can thicken the surface layer, which possibly results from the weakening of surface polarization caused by alkaline solutions, thereby changing the surface depolarization field and surface layer thickness.

Critical Role of Non-Halogenated Solvent Additives in Eco-Friendly and Efficient All-Polymer Solar Cells.

Organic solar cells (OSCs) demonstrating high power conversion efficiencies have been mostly fabricated using halogenated solvents, which are highly toxic and harmful to humans and the environment. Recently, non-halogenated solvents have emerged as a potential alternative. However, there has been limited success in attaining an optimal morphology when non-halogenated solvents (typically o-xylene (XY)) were used. To address this issue, we studied the dependence of the photovoltaic properties of all-polymer solar cells (APSCs) on various high-boiling-point non-halogenated additives. We synthesized PTB7-Th and PNDI2HD-T polymers that are soluble in XY and fabricated PTB7-Th:PNDI2HD-T-based APSCs using XY with five additives: 1,2,4-trimethylbenzene (TMB), indane (IN), tetralin (TN), diphenyl ether (DPE), and dibenzyl ether (DBE). The photovoltaic performance was determined in the following order: XY + IN < XY + TMB < XY + DBE ≤ XY only < XY + DPE < XY + TN. Interestingly, all APSCs processed with an XY solvent system had better photovoltaic properties than APSCs processed with chloroform solution containing 1,8-diiodooctane (CF + DIO). The key reasons for these differences were unraveled using transient photovoltage and two-dimensional grazing incidence X-ray diffraction experiments. The charge lifetimes of APSCs based on XY + TN and XY + DPE were the longest, and their long lifetime was strongly associated with the polymer blend film morphology; the polymer domain sizes were in the nanoscale range, and the blend film surfaces were smoother, as the PTB7-Th polymer domains assumed an untangled, evenly distributed, and internetworked morphology. Our results demonstrate that the use of an additive with an optimal boiling point facilitates the development of polymer blends with a favorable morphology and can contribute to the widespread use of eco-friendly APSCs.

Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. II. Experimental results.

While the crystal structure of the polymorph phase can be studied in three dimensions conveniently by X-ray methods like grazing-incidence X-ray diffraction (GIXD), the first monolayer is only accessible by surface-sensitive methods that allow the determination of a two-dimensional lattice. Here, GIXD measurements with sample rotation are compared with distortion-corrected low-energy electron diffraction (LEED) experiments on conjugated molecules: 3,4;9,10-perylenetetracarboxylic dianhydride (PTCDA), 6,13-pentacenequinone (P2O), 1,2;8,9-dibenzopentacene (trans-DBPen) and dicyanovinyl-quaterthiophene (DCV4T-Et2) grown by physical vapor deposition on Ag(111) and Cu(111) single crystals. For these molecular crystals, which exhibit different crystallographic lattices and crystal orientations as well as epitaxial properties, the geometric parameters of the three-dimensional lattice are compared with the corresponding geometry of the first monolayer. A comparison of the monolayer lattice from LEED investigations with the multilayer lattices determined by rotated GIXD experiments reveals a correlation between the first monolayer and the epitaxial growth of three-dimensional crystals together with lattice distortions and re-alignment of molecules. The selected examples show three possible scenarios of crystal growth on top of an ordered monolayer: (i) growth of a single polymorph, (ii) growth of three different polymorphs; in both cases the first monolayer serves as template. In the third case (iii) strong lattice distortion and distinct molecular re-alignments from the monolayer to epitaxially grown crystals are observed. This is the second part of our work concerning the correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. In the first part, the theoretical basis has been derived which provides a mathematical relationship between the six lattice parameters of the three-dimensional case and the three parameters obtained for the two-dimensional surface unit cell, together with their orientation to the single-crystalline substrate. In this work, a combined experimental approach of GIXD and LEED is introduced which can be used to investigate the effect of the epitaxial monolayer on the structural properties of molecular crystals grown on top.

Benzimidazole loaded β-cyclodextrin as a novel anti-corrosion system; coupled experimental/computational assessments

HypothesisSilane (sol–gel)-based coatings have been introduced as an eco-friendly system for reducing the metals' corrosion in NaCl solutions. However, due to the lack of active protection property for this type of coatings, their modification is totally recommended for achieving durable protection properties. The present study introduces Beta-cyclodextrin (β-CD) as a novel/effective organic nano-container for Benzimidazole (BM) encapsulation to obtain reliable active protection property via a controlled-release property. ExperimentsThe chemical structure of the β-CD-BM macromolecule was explored by Fourier-transform infrared spectroscopy (FT-IR), X-Ray diffraction (XRD), and Ultraviolet–visible spectroscopy (UV–Vis). Besides, the Electrochemical Impedance Spectroscopy (EIS) and polarization (potentiodynamic) tests were carried out for investigating the inhibition impacts of the constructed containers. The exposed and unexposed samples' surfaces were analyzed by Field Emission Scanning Electron Microscope (FE-SEM), Energy Dispersive Spectroscopy (EDS)/mapping, and Grazing incidence X-ray diffraction (GIXRD) experiments. Also, the EIS test was conducted over the Silane-based composite film (SCF) for analyzing the anti-corrosion performance of the constructed composites. FindingsThe EIS achievements demonstrated that by the addition of β-CD-BM complexes to the saline solution, the mild steel corrosion was mitigated by about 84%. The EIS results also displayed that the total resistance of the modified composite was enhanced from 5540 Ω.cm2 to 10967 Ω.cm2 and the intact coating provided a total resistance of 80254 Ω.cm2. The dispersion-corrected Density Functional Theory (DFT)-D explorations ascertained the inclusion capacity of benzimidazole inside the β-CD. The Monte Carlo/Molecular Dynamics (MC/MD) calculations strongly affirmed the adsorption of BM and β-CD-BM over the substrate.

Characterization of surface and subsurface defects induced by abrasive machining of optical crystals using grazing incidence X-ray diffraction and molecular dynamics

IntroductionSurface and subsurface defects were easily induced during abrasive machining process of optical crystals due to their high brittleness. Accurate characterization of these defects is the prerequisite for obtaining optical components with high surface integrity. ObjectivesThis work aims to evaluate subsurface defects of CaF2 single crystals induced by abrasive machining, the mappings between micro cracks and diffraction pattern curves, and the influence of micro cracks on lattice structures. MethodsMolecular dynamics simulation, grazing incidence X-ray diffraction experiments and cross-sectional TEM detection were used in this work. ResultsIn grazing incidence X-ray diffraction (GIXD) detection experiments on lapping and polished specimens, shifts phenomenon of the peak position under the non-theoretical grazing incidence angle indicated that the subsurface was damaged to a certain extent. The micro cracks of the subsurface were evaluated by the consistent characteristic of “peak drift” of the diffraction pattern curve in both experiments and simulations. In addition, cross-sectional TEM results showed that regular micro cracks were found on the subsurface, which agreed well with the simulation results. ConclusionThe subsurface defects of CaF2 single crystals induced by abrasive machining, and the influence of micro cracks on lattice structures can be evaluated by molecular dynamics simulation. The simulation results revealed the mappings between the micro cracks and diffraction pattern curve, which demonstrated that a phenomenon of “peak drift” occurred near the diffraction angle of a specific crystal plane. This work provided a novel technology for the nondestructive testing of defects of single crystal materials at nano- and micro- scales.

Orientation Control of Semiconducting Polymers Using Microchannel Molds

The molecular orientation of organic semiconductors (OSCs) is of fundamental importance to anisotropic electrical behavior as well as superior properties in practical applications. Here, a simple and effective method is demonstrated to fabricate highly oriented semiconducting polymers, poly(3-hexylthiophene) (P3HT) and poly{[N,N'-bis(2-octyldodecyl)-1,4,5,8-naphthalenediimide-2,6-diyl]-alt-5,5'-(2,2'-bithiophene)} (P(NDI2OD-T2)), by mass transfer effect under microchannel molds by diffusion and convection. Furthermore, parallel or perpendicular molecular arrangements relative to the channel direction were achieved by varying the widths of the microchannels, which are directly observed using polarized optical microscopy and two-dimensional grazing-incidence X-ray diffraction experiments. The method could enable the fabrication of organic field-effect transistors that exhibit anisotropic electrical properties indicating inter- or intrachain charge transport. The resulting platform will provide a simple approach for multidirectional orientations of anisotropic OSCs.

Salmonella Membrane Structural Remodeling Increases Resistance to Antimicrobial Peptide LL-37.

Gram-negative bacteria are protected from their environment by an outer membrane that is primarily composed of lipopolysaccharides (LPSs). Under stress, pathogenic serotypes of Salmonella enterica remodel their LPSs through the PhoPQ two-component regulatory system that increases resistance to both conventional antibiotics and antimicrobial peptides (AMPs). Acquired resistance to AMPs is contrary to the established narrative that AMPs circumvent bacterial resistance by targeting the general chemical properties of membrane lipids. However, the specific mechanisms underlying AMP resistance remain elusive. Here we report a 2-fold increase in bacteriostatic concentrations of human AMP LL-37 for S. enterica with modified LPSs. LPSs with and without chemical modifications were isolated and investigated by Langmuir films coupled with grazing-incidence X-ray diffraction (GIXD) and specular X-ray reflectivity (XR). The initial interactions between LL-37 and LPS bilayers were probed using all-atom molecular dynamics simulations. These simulations suggest that initial association is nonspecific to the type of LPS and governed by hydrogen bonding to the LPS outer carbohydrates. GIXD experiments indicate that the interactions of the peptide with monolayers reduce the number of crystalline domains but greatly increase the typical domain size in both LPS isoforms. Electron densities derived from XR experiments corroborate the bacteriostatic values found in vitro and indicate that peptide intercalation is reduced by LPS modification. We hypothesize that defects at the liquid-ordered boundary facilitate LL-37 intercalation into the outer membrane, whereas PhoPQ-mediated LPS modification protects against this process by having innately increased crystallinity. Since induced ordering has been observed with other AMPs and drugs, LPS modification may represent a general mechanism by which Gram-negative bacteria protect against host innate immunity.

Studies on solid state reactions of atomic layer deposited thin films of lithium carbonate with hafnia and zirconia

In this paper, results on the solid state reactions of atomic layer deposited Li2CO3 with HfO2 and ZrO2 are reported. An Li2CO3 film was deposited on top of hafnia and zirconia, and the stacks were annealed at various temperatures in air to remove the carbonate and facilitate lithium diffusion into the oxides. It was found that Li+ ions are mobile in hafnia and zirconia at high temperatures, diffusing to the film–substrate interface and forming silicates with the Si substrate during heating. Based on grazing incidence x-ray diffraction experiments, no changes in the oxide phases take place during this process. Field emission scanning electron microscopy images reveal that some surface defects are formed on the transition metal oxide surfaces during lithium diffusion. The authors also show that lithium can diffuse through hafnia and react with a potential lithium-ion battery electrode material TiO2 residing below the HfO2 layer, forming Li2TiO3.

Intramolecular Locked Dithioalkylbithiophene-Based Semiconductors for High-Performance Organic Field-Effect Transistors.

New 3,3'-dithioalkyl-2,2'-bithiophene (SBT)-based small molecular and polymeric semiconductors are synthesized by end-capping or copolymerization with dithienothiophen-2-yl units. Single-crystal, molecular orbital computations, and optical/electrochemical data indicate that the SBT core is completely planar, likely via S(alkyl)⋯S(thiophene) intramolecular locks. Therefore, compared to semiconductors based on the conventional 3,3'-dialkyl-2,2'-bithiophene, the resulting SBT systems are planar (torsional angle <1°) and highly π-conjugated. Charge transport is investigated for solution-sheared films in field-effect transistors demonstrating that SBT can enable good semiconducting materials with hole mobilities ranging from ≈0.03 to 1.7 cm2 V-1 s-1 . Transport difference within this family is rationalized by film morphology, as accessed by grazing incidence X-ray diffraction experiments.

Unusual Interfacial Freezing Phenomena in Hexacontane/Silica Composites.

The crystallization behaviors of n-hexacontane (C60H122)/Stöber silica (SiO2) composites with various compositions were investigated by a combination of differential scanning calorimetry (DSC), solid-state 13C nuclear magnetic resonance (solid-state 13C NMR), and proton NMR relaxation experiments. By means of DSC, C60H122 molecules in C60H122/silica composites were observed to be involved in the interfacial freezing not present in the free bulk C60H122. The orientation of C60H122 molecules, being preferentially normal to silica surface, was confirmed by grazing incidence X-ray diffraction experiments on thin n-hexacontane film adsorbed on the silicon wafer with a native SiO2 layer. Inferred from the solid 13C NMR data, the interfacial monolayer is in orthorhombic phase with certain chain disorders. It is speculated that the "interfacial freezing" of C60H122 formed in the presence of silica particles is driven by the combination of the strong attraction between the molecules and the enhanced number of interfacial molecules on the silica surface.

Multilayer silicene: clear evidence of Ag-terminated bulk silicon

The existence of silicite, a new allotrope of silicon based on a stacking of hexagonal silicene planes, is one of the most discussed topics in the field of two-dimensional materials. Using grazing incidence x-ray diffraction (GIXD), we have followed the in situ growth of Si films on Ag(1 1 1) in the low-temperature growth regime (510–520 K). GIXD experiments demonstrate that Si films have a diamond-like structure, with an average lattice constant slightly different from that of bulk Si. The diffracted intensities associated with Si films are well reproduced by the Ag/Si(1 1 1) honeycomb chain model, whereas models with Ag-free Si surfaces fail to reproduce the experimental data.

Solution-Processed Organic Thin-Film Transistor Arrays with the Assistance of Laser Ablation

A key step toward commercialization of organic thin-film transistors (OTFTs) is to manufacture large-area OTFT arrays with desired uniform device performance. In this work, for the first time, solution-processed OTFT arrays were fabricated with the assistance of laser ablation. The source-drain electrodes and the whole devices were patterned by precise control of laser intensity and process path. Compared with traditional methods, this approach significantly simplifies the fabrication process of OTFT arrays with high quality and high yield. A careful selection of laser processing parameters is key to obtaining high quality and high performance OTFT arrays. The grazing incidence X-ray diffraction experiments and device performance tests ensured the selection of proper laser ablation intensity. Eventually, the OTFT arrays on silicon wafer and ITO glass exhibited uniform electrical characteristics with the mean mobility of 0.16 and 0.10 cm2 V-1 s-1, respectively. These results demonstrated that the laser ablation process provides a promising tool to simplify the fabrication of solution-processed OTFT arrays with low cost and high yield, which has great potential in upscaling of high performance OTFT arrays for display and circuits.

Enhancing Carrier Mobilities in Organic Thin-Film Transistors Through Morphological Changes at the Semiconductor/Dielectric Interface Using Supercritical Carbon Dioxide Processing.

Charge-carrier mobilities in poly(3-hexylthiophene) (P3HT) organic thin-film transistors (OTFTs) increase 5-fold when OTFTs composed of P3HT films on trichloro (1H, 1H, 2H, 2H-perfluorooctyl) silane (FTS) monolayers supported on SiO2 dielectric substrates (P3HT/FTS/SiO2/Si) are subjected to supercritical carbon dioxide (scCO2) processing. In contrast, carrier mobilities in P3HT/octadecyltrichlorosilane (OTS)/SiO2 OTFTs processed using scCO2 are comparable to mobilities measured in as-cast P3HT/OTS/SiO2/Si devices. Topographical images of the free and buried interfaces of P3HT films reveal that scCO2 selectively alters the P3HT morphology near the buried P3HT/FTS-SiO2 interface; identical processing has negligible effects at the P3HT/OTS-SiO2 interface. A combination of spectroscopic ellipsometry and grazing-incidence X-ray diffraction experiments indicate insignificant change in the orientation distribution of the intermolecular π-π stacking direction of P3HT/FTS with scCO2 processing. The improved mobilities are instead correlated with enhanced in-plane orientation of the conjugated chain backbone of P3HT after scCO2 annealing. These findings suggest a strong dependence of polymer processing on the nature of polymer/substrate interface and the important role of backbone orientation toward dictating charge transport of OTFTs.

Multiple scattering in grazing-incidence X-raydiffraction: impact on lattice-constant determinationin thin films.

Dynamical scattering effects are observed in grazing-incidence X-ray diffraction experiments using an organic thin film of 2,2':6',2''-ternaphthalene grown on oxidized silicon as substrate. Here, a splitting of all Bragg peaks in the out-of-plane direction (z-direction) has been observed, the magnitude of which depends both on the incidence angle of the primary beam and the out-of-plane angle of the scattered beam. The incident angle was varied between 0.09° and 0.25° for synchrotron radiation of 10.5 keV. This study reveals comparable intensities of the split peaks with a maximum for incidence angles close to the critical angle of total external reflection of the substrate. This observation is rationalized by two different scattering pathways resulting in diffraction peaks at different positions at the detector. In order to minimize the splitting, the data suggest either using incident angles well below the critical angle of total reflection or angles well above, which sufficiently attenuates the contributions from the second scattering path. This study highlights that the refraction of X-rays in (organic) thin films has to be corrected accordingly to allow for the determination of peak positions with sufficient accuracy. Based thereon, a reliable determination of the lattice constants becomes feasible, which is required for crystallographic structure solutions from thin films.

Enhanced Performance of Polymer Solar Cells Comprising Diketopyrrolopyrrole-Based Regular Terpolymer Bearing Two Different π-Extended Donor Units.

New regular and random diketopyrrolopyrrole (DPP)-based terpolymers (i.e., Reg-PBDPPT and Ran-PBDPPT, respectively) bearing DPP as an electron deficient unit and 2,2'-bithiophene and (E)-1,2-di(thiophen-2-yl)ethene as electron donating units were designed and synthesized, and their performance in photovoltaic cells was investigated precisely. The absorption properties and highest occupied molecular orbital (HOMO) of Reg-PBDPPT were found to be different from those of Ran-PBDPPT. The results of grazing incidence X-ray diffraction experiments revealed that Ran-PBDPPT typically had a predominantly edge-on chain orientation on the substrate, whereas Reg-PBDPPT showed mixed chain orientation both in pristine and thermally annealed films. Although Reg-PBDPPT exhibited a lower degree of edge-on chain orientation on the substrate, the corresponding TFTs showed a high hole mobility of 0.42-0.96 cm(2) V(-1) s(-1) and maintained a high current on/off ratio (>10(6)). A polymer solar cell (PSC) composed of Reg-PBDPPT and PC71BM exhibited power conversion efficiencies (PCE) of 5.24-5.45%, which were higher than those of the Ran-PBDPPT-based PSCs. The enhanced efficiency was supported by an increase in the short circuit current, which is strongly related to the unique internal crystalline morphology and pronounced nanophase segregation behavior in the blend films. These results obviously manifested that this synthetic strategy for regular conjugated terpolymers could be employed to control morphological properties to obtain high-performance PSCs.

Structure, Optical Absorption, and Performance of Organic Solar Cells Improved by Gold Nanoparticles in Buffer Layers.

11-Mercaptoundecanoic acid (MUA)-stabilized gold nanoparticles (AuNPs) embedded in copper phthalocyanine (CuPc) were used as a buffer layer between a poly(3-hexyl-thiophene) (P3HT)/[6,6]-phenyl C61-butyric acid methyl ester (PCBM) bulk heterojunction and anodic indium-tin oxide (ITO) substrate. As systematic synchrotron-based grazing incidence X-ray diffraction (GIXRD) experiments demonstrated that the AuNPs present in the buffer layer can improve the microstructure of the active layer with a better lamella packing of P3HT from the surface to the interior, UV-visible absorption spectrum measurements revealed enhanced optical absorption due to the localized surface plasma resonance (LSPR) generated by the AuNPs. The device of ITO/poly(3,4-ethylenedioxythiophene):polystyrenesulfonate/CuPc:MUA-stabilized AuNPs/P3HT:PCBM/LiF/Al was found with over 24% enhancement of power conversion efficiency (PCE) in comparison with reference devices without AuNPs. This remarkable improvement in PCE should be partially attributed to LSPR generated by the AuNPs and partially to improved crystallization as well as preferred orientation order of P3HT due to the presence of the AuNPs, which would promote more applications of metal NPs in the organic photovoltaic devices and other organic multilayer devices.

Origin of the Thermal Instability in CH3NH3PbI3 Thin Films Deposited on ZnO

The rapid development of organometal halide perovskite solar cells has led to reports of power conversion efficiencies of over 20%. Despite this excellent performance, their instability remains the major challenge limiting their commercialization. In this report, we systematically investigate the origin of the thermal instability of perovskite solar cells fabricated using ZnO electron transport layers. Through in situ grazing incidence X-ray diffraction experiments and density functional theory calculations, we show that the basic nature of the ZnO surface leads to proton-transfer reactions at the ZnO/CH3NH3PbI3 interface, which results in decomposition of the perovskite film. The decomposition process is accelerated by the presence of surface hydroxyl groups and/or residual acetate ligands; calcination of the ZnO layer results in a more thermally stable ZnO/CH3NH3PbI3 interface, albeit at the cost of a small decrease in power conversion efficiency.

Rigid urea and self-healing thiourea ethanolamine monolayers.

A series of long-tail alkyl ethanolamine analogs containing amide-, urea-, and thiourea moieties was synthesized and the behavior of the corresponding monolayers was assessed on the Langmuir-Pockels trough combined with grazing incidence X-ray diffraction experiments and complemented by computer simulations. All compounds form stable monolayers at the soft air/water interface. The phase behavior is dominated by strong intermolecular headgroup hydrogen bond networks. While the amide analog forms well-defined monolayer structures, the stronger hydrogen bonds in the urea analogs lead to the formation of small three-dimensional crystallites already during spreading due to concentration fluctuations. The hydrogen bonds in the thiourea case form a two-dimensional network, which ruptures temporarily during compression and is recovered in a self-healing process, while in the urea clusters the hydrogen bonds form a more planar framework with gliding planes keeping the structure intact during compression. Because the thiourea analogs are able to self-heal after rupture, such compounds could have interesting properties as tight, ordered, and self-healing monolayers.

Isoindigo-Containing Molecular Semiconductors: Effect of Backbone Extension on Molecular Organization and Organic Solar Cell Performance.

We have synthesized three new isoindigo-based small molecules by extending the conjugated length through the incorporation of octyl-thiophene units between the isoindigo core and benzothiophene terminal units. Both UV–vis and Grazing incidence X-ray diffraction experiments show that such extension of the π-conjugated backbone can induce H-aggregation, and enhance crystallinity and molecular ordering of these isoindigo-based small molecules in the solid state. Compared to two other isoindigo-based derivatives in the series, the derivative with two octyl-thiophene units, BT-T2-ID, is the most crystalline and ordered, and its molecular packing motif appears to be substantially different. Devices utilizing these new extended isoindigo-based small molecules as the electron donor exhibit higher performance than those utilizing nonextended BT-ID as the electron donor. Particularly, devices containing BT-T2-ID in an as-cast blend with PC61BM show power conversion efficiencies up to 3.4%, which is comparable to the best devices containing isoindigo-based molecular semiconductors and is a record among devices containing isoindigo-based small molecules that were processed in the absence of any additives.

Thermal stability of amorphous Zn-In-Sn-O films

Isochronal annealing of amorphous Zn and Sn codoped In2O3 (a-ZITO) films was performed at the Synchrotron so that to extract, in situ, important kinetic nucleation and growth parameters from a single constant-rate heating experiment. First, amorphous Zn and Sn codoped In2O3 films were deposited via pulsed laser deposition and subjected to post-deposition annealing treatments to study their stability against crystallization. Crystallization on glass and ĉ-sapphire occurred near the same temperature, however higher codoping levels resulted in increased crystallization temperatures. Post-deposition anneal crystallization temperatures were found to be higher than the substrate temperatures required to grow crystalline films during deposition. Then, a-ZITO films were subjected to a constant temperature ramp during in situ grazing-incidence X-ray diffraction experiments. Crystallization of films on both glass and ĉ-sapphire showed similar gradual crystallization behavior between 300 and 345 °C and strong (111) texturing, which suggests the influence of surface energy minimization during crystallization. The activation energy was found to be 2.87 eV using Johnson-Mehl-Avrami analysis. This work presents the advantages of in situ experiments to study nucleation and growth during crystallization of transparent conducting oxides.