16.01-04 Unified Engineering I, II, III, & IV, Fall 2003-Spring 2004 by Hall, Steven Ray, Coleman, Charles P, Drela, Mark, Lundqvist, Ingrid Kristina, Spearing, S Mark, Waitz, Ian A, Young, Peter W

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Microstructural evolution during mechanical milling of Nd-Fe-B nanocomposites by Toh, Hon Kun.

“…XRD results revealed that higher milling intensity increased the rate of phase transformation and the rate of change in crystal sizes and strain but did not affect the steady state phase composition. …”
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Elucidating surface and bulk emission in 3D hybrid organic – inorganic lead bromide perovskites by Chi, Xiao, Leng, Kai, Wu, Bo, Shi, Dong, Choy, Yufong, Chen, Zhongxin, Chen, Zhihui, Yu, Xiaojiang, Yang, Ping, Xu, Qing-Hua, Sum, Tze Chien, Rusydi, Andrivo, Loh, Kian Ping

“…High resolution synchrotron X‐ray diffraction reveals that air‐exposed HOIP crystals form a multilayer structure consisting of PbBr2, and an interfacial layer of orthorhombic phase, while the bulk crystal remains cubic phase. …”
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Anisotropy of the zigzag order in the Kitaev honeycomb magnet α-RuBr3 by Pearce, JS, Kaib, DAS, Ma, Z, Ni, D, Cava, RJ, Valenti, R, Coldea, R, Coldea, AI

“…The torque for field rotated in the honeycomb plane has a clear six-fold periodicity with a saw-tooth shape, reflecting the three-fold symmetry of the crystal structure and stabilization of different zigzag domains depending on the field orientation, with a torque amplitude that follows an order parameter form inside the zigzag phase. …”

Optimization of superconducting properties of the stoichiometric CaKFe4As4 by Singh, S, Cassidy, S, Bristow, M, Blundell, S, Clarke, S, Coldea, A

“…Based on our study, we construct the phase diagram for polycrystalline 1144 and compared it with that reported for 1144 single crystal.…”

Investigation of Ni as Zn substitute in CZTS thin film solar cell by Quek, Ka Jun

“…X-ray diffraction (XRD), Raman spectroscopy and ultraviolet-visible light spectroscopy (UV-Vis) were done to investigate the crystal structure and band gap of the CNZTS. There are 3 main peaks found among the films, which correspond to the kesterite CZTS and Cu2NiSnS4 (CNTS) phases. …”
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Theoretical and experimental study of semiconducting iron disilicide and its applications to thin film solar cells by Tan, Khing Hong

“…The theoretical study based on the first-principles calculations provides the fundamental understanding of various properties of β-FeSi2, including equilibrium crystal structure, bandgap properties, effects of native vacancy defects, and impurity doping in β-FeSi2. …”
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Theory of Layered-Oxide Cathode Degradation in Li-ion Batteries by Oxidation-Induced Cation Disorder by Zhuang, Debbie, Bazant, Martin Z

“…Disorder-driven degradation phenomena, such as structural phase transformations and surface reconstructions, can significantly reduce the lifetime of Li-ion batteries, especially those with nickel-rich layered-oxide cathodes. …”
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A SnO2 nanoparticle/nanobelt and Si heterojunction light-emitting diode by Chen, Rui, Sun, Handong, Dong, Zhili, Ling, Bo, Sun, Xiaowei, Zhao, Jun Liang, Ke, Chang, Tan, Swee Tiam

“…Single-crystalline zero-dimensional tin dioxide (SnO2) nanoparticles and one-dimensional SnO2 nanobelts were synthesized on silicon (Si) substrates with different seed layer coatings by simple vapor-phase transport method. The crystal structure and morphology of the as-synthesized products were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and Raman scattering spectroscopy. …”
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Novel optical microscopy techniques to assess grain orientation information in polycrystalline materials by Wang, Xiaogang

“…For this reason, optical microscopy cannot be employed to resolve materials’ atomic structure and its use is typically limited to quantifying the geometry and distribution of the microstructural features that can be resolved, such as crystal grains, phases, and defect. In this project we will use modified optical techniques and develop novel numerical analysis methods to overcome the diffraction barrier of optical microscopy and assess grain orientation information. …”
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Optimization of Sb2(S, Se)3 photoabsorbers for photoelectrochemical hydrogen evolution reaction by Lee, Kian Jie

“…This is due to their unique characteristics, such as tuneable band gap, quasi-1D crystal structure, appropriate band alignment for water splitting, a stable single orthorhombic phase, low cost and non-toxicity. …”
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Indications of surface-dominated transport in single crystalline nanoflake devices of topological insulator Bi_{1.5}Sb_{0.5}Te_{1.8}Se_{1.2} by Xia, Bin, Ren, Peng, Sulaev, Azat, Liu, Peng, Shen, Shun-Qing, Wang, Lan

“…The resistivity measurements show dramatic differences between the nanoflake devices and bulk single crystal. Based on a two-channel model, the analysis on the resistivity and Hall resistance indicates that ∼99% surface transport contribution can be realized in 200 nm-thick BSTS nanoflake devices. …”
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Synthesis, assembly and applications of novel two-dimensional metal chalcogenide nanomaterials by Tan, Chaoliang

“…Ta2NiS5 and Ta2NiSe5, in high-yield and large scale in liquid phase by exfoliating their layered bulk crystals via the electrochemical Li-intercalation and exfoliation method. …”
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Automatic Generation of Chemical Kinetic Models including Macromolecules in Multiphase Systems by Pang, Hao-Wei

“…Part II develops machine learning models for predicting thermochemical parameters in gas and liquid phases. A decision tree model based on subgraph isomorphism for gas-phase radical thermochemistry is presented. …”
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TEM image simulation of silicon carbide using multislice technique by Saw, Ann Nee.

“…Multislice is a method which divides the crystal samples into many slices of same thickness and each slice is assume to be a simple phase shift of the electron wave meaning that the thin slice of specimen do not absorb electrons energy [1]. …”
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Topochemical manipulation of some complex transition metal oxides by Amano Patiño, ME

“…The observed differing reactivity is inconsistent with the crystal structure and composition of the LaSrNiRuO₆ samples, from which all the materials are identical. …”

Peroxytungstate anions in asymmetric ion pair catalyzed oxidations by Ye, Xinyi

“…Over the last few years, our group has developed a series of phase-transfer catalysts, which successfully solved problems in the enantioselective addition and substitution reaction under traditional base promoted conditions. …”
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Nanostructured single-crystalline twin disks of zinc oxide by Xu, Chunxiang, Sun, Xiaowei, Dong, Zhili, Cui, Yiping, Wang, B. P.

“…Nanostructural twin disks of zinc oxide with high yield were fabricated by vapor-phase transport using a mixture of zinc oxide, indium oxide, and graphite powders as source material. …”
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Epitaxial growth of unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures on 4H Au nanoribbons by Fan, Zhanxi, Chen, Ye, Zhu, Yihan, Wang, Jie, Li, Bing, Zong, Yun, Han, Yu, Zhang, Hua

“…Metal nanomaterials normally adopt the same crystal structure as their bulk counterparts. Herein, for the first time, the unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures have been synthesized on 4H Au nanoribbons (NRBs) via solution-phase epitaxial growth under ambient conditions. …”
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Continuous terahertz emission from dipolaritons by Kristinsson, Kristinn, Kyriienko, Oleksandr, Liew, Timothy Chi Hin, Shelykh, Ivan A.

“…In this way, we achieve continuous and tunable emission in the THz range in a compact single-crystal device. We show that the emission frequency can be tuned in a certain range by varying an applied electric field and pumping conditions. …”
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