Showing 30 results for Author: Gs Jung
Apr, 2026
Journal
This study reports on the capture of rare earth elements (REEs) from phosphate industry process streams, including phosphoric acid (PA) sludge and phosphogypsum (PG), using a membrane solvent extraction (MSX) process. While MSX has been proven effective for a relatively concentrated feed, its effectiveness for dilute REEs solutions remains unexplored. Investigated PA-sludg…
Mar, 2026
Journal
Direct control over the vertical formation sequence and stacking registry in van der Waals (vdW) bilayers is essential for device performance and moiré engineering yet difficult to resolve unambiguously with conventional probes. We use Mo isotope labeling in a two-step chemical vapor deposition process to synthesize bilayer MoS2 and trace its vertical formation on common s…
Feb, 2026
Journal
Developing neural network potentials (NNPs) accurate under non-equilibrium dynamics is challenging, as such systems require extensive sampling beyond equilibrium phases. Here we construct high-fidelity NNPs for zinc oxide (ZnO), a polymorphic ionic solid, using density functional theory (DFT) reference data. To efficiently capture transitional configurations, we combine en…
Oct, 2025
Journal
Geological features play a pivotal role in determining the feasibility of deploying COâ‚‚ direct air capture (DAC) technologies, primarily because they influence the availability of cost-effective energy sources, such as natural gas and geothermal energy, and also due to the potential for COâ‚‚ sequestration. Many regions face challenges due to variable weather conditions incl…
Sep, 2025
Journal
The pressure–temperature phase behavior of covalent disordered solids such as amorphous silicon and germanium is complex. Questions remain on possible glass transitions, on polyamorphism via amorphous–amorphous transitions, on connections with liquid–liquid transitions, on structure-behavior relationships, and on their potential as precursor for novel methods for material…
Jun, 2025
Journal
Machine learning-based interatomic potentials (MLIPs) have transformed the prediction of potential energy surfaces (PESs), achieving accuracy comparable to ab initio calculations. However, atomic energy predictions, often assumed to lack physical meaning, remain underexplored. In this study, we demonstrate that inaccuracies in atomic energy predictions reduce the robustnes…
May, 2025
Journal
Fossil fuel fired power plants are generally expected to remain one of the most significant global sources of electricity for decades to come. Consequently, carbon management technologies are needed to reduce or eliminate ongoing emissions from these sources. Amongst the many techniques for carbon capture, aqueous amine-based absorbents (monoethanolamine, MEA, in particula…
Apr, 2025
Journal
The enzymatic hydrolysis of polyamides offers a promising approach to reduce the environmental impact of chemical recycling by enabling lower reaction temperatures, eliminating toxic organic solvents, and enhancing product selectivity. Achieving this goal will require increasing the low overall yield of enzymatic hydrolysis. In this work, we studied the mechanism of hydrol…
Dec, 2024
Journal
The viscoelastic and thermomechanical properties of pitches are responsible for their melt-spinning behavior, which is a critical step for manufacturing high-performance pitch-based carbon fibers. Here, we systematically explore the impact of methyl group modifications on the viscoelastic and thermal properties of mesophase pitches. We employ a range of atomistic modeling…
Dec, 2024
Journal
Nanowires composed of a 1:1 stoichiometry of transition metals and chalcogen ions can be fabricated from two-dimensional transition metal dichalcogenides (TMDs) by using electron beam irradiation. Wires fabricated through in situ experiments can be geometrically connected to TMD sheets in various ways, and their physical properties can vary accordingly. Understanding the s…
Oct, 2024
Journal
The efficacy of neural network potentials (NNPs) critically depends on the quality of the configurational datasets used for training. Prior research using empirical potentials has shown that well-selected liquid–solid transitional configurations of a metallic system can be translated to other metallic systems. This study demonstrates that such validated configurations can…
Jul, 2024
Journal
A cost-effective, energy-efficient sorbent regeneration process for phase-changing guanidines used for CO2 capture was developed based on direct-steam stripping. This approach enhances the regeneration rate, simplifies the overall CO2 capture process, and reduces the energy cost compared to conventional conductive thermal regeneration. A direct-steam sorbent regeneration r…