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Reverse Monte Carlo Modeling of Non-crystalline and Crystalline Materials
The structures of glassy, liquid, and amorphous materials are still poorly understood owing to insufficient experimental data. With the advent of...
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Defect engineered 2D mesoporous Mo-Co-O nanosheets with crystalline-amorphous composite structure for efficient oxygen evolution
Two-dimensional (2D) mesoporous metal-oxide (hydroxide) nanomaterials with defects are promising towards the realization of efficient...
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Supercell Methods for Defect Calculations
Periodic boundary conditions enable fast density-functional-based calculations for defects and their complexes in semiconductors. Such calculations...
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Trivalent Atom Defect-Complex Induced Defect Levels in Germanium for Enhanced Ge‑Based Device Performance
Defect complexes have a significant impact on the structural, electronic, optical and electrical properties of semiconductors. Several defect...
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Defect-modulated synthesis and optoelectronic properties in chemical vapor deposited CsPbBr3 microplates
The remarkable optoelectronic features of halide perovskite promote their potential applications in semiconductor devices beyond solar cells, which...
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Defect spinel oxides for electrocatalytic reduction reactions
Electrocatalytic reduction reactions play a crucial role in electrochemical energy conversion and storage technology, which are emerging technologies...
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Defect analysis of crystalline Si solar cells by learning radiation-induced defects in Si
This paper presents analytical results for improving crystalline Si solar cells, analyzed using our knowledge in radiation-induced defects in Si....
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Investigating heterogeneous defects in single-crystalline WS2 via tip-enhanced Raman spectroscopy
Nanoscale defects in two-dimensional (2D) transition metal dichalcogenides (TMDs) alter their intrinsic optical and electronic properties, and such...
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Low-temperature sol–gel methods for the integration of crystalline metal oxide thin films in flexible electronics
AbstractThe development of low-temperature sol–gel (solution) processes for the fabrication of crystalline metal oxide thin films has become a key...
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Machine learning potential assisted exploration of complex defect potential energy surfaces
Atomic-scale defects generated in materials under both equilibrium and irradiation conditions can significantly impact their physical and mechanical...
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Trends in defect passivation technologies for perovskite-based photosensor
Perovskites are semiconductor materials with the ABX3 structure, and they possess several attractive features, such as a tunable bandgap, high...
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Comparative first-principles analysis of crystalline versus amorphous CeO2 particles: implications for chemical mechanical planarization
Based on density functional theory (DFT) calculations, we first examine a detailed study of CeO 2 in both crystalline and amorphous forms, assessing...
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Thiol-based defect healing of WSe2 and WS2
Recent research on two-dimensional (2D) transition metal dichalcogenides (TMDCs) has led to remarkable discoveries of fundamental phenomena and to...
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An extended computational approach for point-defect equilibria in semiconductor materials
Concentrations of intrinsic and extrinsic point defects in crystalline materials with a bandgap are typically calculated in a constant- μ approach...
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Defect Theory: An Armchair History
This introductory chapter begins with a summary of the developments of the theory of defects in semiconductors in the past 50 years. This is followed...
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Formation of Nanoclusters in Zinc-Implanted Crystalline Quartz
AbstractWe present the results of the synthesis of nanoclusters of metallic zinc and its oxide in crystalline quartz implanted with 64 Zn + ions with...
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Remodeling Electrophysiological Microenvironment for Promoting Bone Defect Repair via Electret Hybrid Electrospun Fibrous Mat
Improving the osteogenic properties of bone grafts plays a critical role in the repair and functional restoration of critical-sized bone defects. The...
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Linking atomic structural defects to mesoscale properties in crystalline solids using graph neural networks
Structural defects are abundant in solids, and vital to the macroscopic materials properties. However, a defect-property linkage typically requires...
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Appearance of amorphous phase in crystalline In-Y codoped ZnO thin films
Indium-Yttrium codoped ZnO (ZnO:In-Y) thin films were prepared by sol–gel spin-coating technique on glass substrates at room temperature and annealed...
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Guided bone regeneration in long-bone defect with a bilayer mineralized collagen membrane
Bone regeneration for large, critical-sized bone defects remains a clinical challenge nowadays. Guided bone regeneration (GBR) is a promising...
