https://scholar.dgist.ac.kr/handle/20.500.11750/207 2026-08-31T09:33:56Z https://scholar.dgist.ac.kr/handle/20.500.11750/60687 Title: Recent Progress in Surface Engineering of AgBiS2 Nanocrystals for Nontoxic and Efficient Photovoltaics Author(s): Kim, Hae Jeong; Kim, Min Yeong; Park, Jin Young; Yoon, Soojin; Choi, Jongmin Abstract: Silver bismuth sulfide (AgBiS2) nanocrystals have recently emerged as eco-friendly semiconductors, achieving power conversion efficiencies above 10%. These improvements are largely driven by surface engineering, which reduces mid-gap states and enhances charge transport and film quality. This review summarizes four major surface engineering strategies for AgBiS2 NCs solid-state ligand exchange, solution-phase ligand exchange, direct synthesis, and full passivation, highlighting their principles and representative achievements. We also discuss emerging approaches that combine chemical control with structural design, offering pathways toward scalable, stable, and high-performance AgBiS2 photovoltaics. 2026-02-28T15:00:00Z https://scholar.dgist.ac.kr/handle/20.500.11750/60686 Title: Spontaneous Penetration of Carbon Nanotubes through Lipid Bilayers: A Computational Perspective Author(s): Choe, Seungho; Mariam, Afira; Ejaz, Maheen Abstract: Carbon nanotubes (CNTs) have been widely explored for applications ranging from drug delivery to energy conversion. To evaluate their potential as drug-delivery agents, it is essential to understand the molecular mechanisms governing their interactions with, and possible transport across, cell membranes. Molecular dynamics (MD) simulations provide a powerful framework for probing these processes at molecular resolution. In this study, we investigate the spontaneous membrane insertion and deep penetration of pristine CNTs (p-CNTs) using the weighted ensemble (WE) method combined with all-atom MD simulations. Two p-CNTs with similar diameters but different lengths were examined to elucidate how nanotube length influences membrane-interaction behavior. Both p-CNTs readily insert into the hydrophobic core of the membrane; however, they exhibit distinct behaviors near the lower leaflet. Although neither p-CNT fully escapes into the opposite aqueous phase due to strong hydrophobic interactions, the WE approach enables detailed characterization of their penetration pathways and the associated free-energy landscape within the bilayer. 2026-03-31T15:00:00Z https://scholar.dgist.ac.kr/handle/20.500.11750/60672 Title: Red-Light-Absorbing Donor-Acceptor Conjugated Polymer Nanoparticles Enable Efficient and Biocompatible Photobiocatalysis Author(s): Dang, Huan Hoang; Wang, Zhicheng; Kim, Seunghyeon; Landfester, Katharina Abstract: Redox enzymes offer high selectivity in chemical transformations, but their practical applications require continuous regeneration of expensive and unstable redox cofactors. Photocatalytic cofactor regeneration has shown promise as an efficient and sustainable strategy. However, most reported systems rely on ultraviolet or blue-light excitation, frequently leading to photodamage and enzyme deactivation. Here, we report a red-light-driven photobiocatalytic platform based on well-dispersible nanoparticles of indacenodithiophene-co-benzothiadiazole (IDTBT), a conjugated polymer known for its strong red-light absorption and favorable optoelectronic properties. By employing nonionic surfactants, IDTBT nanoparticles remain colloidally stable in enzyme-compatible aqueous buffers, enabling their application in photobiocatalysis. Under red-light irradiation, these nanoparticles efficiently catalyze the oxidation of NADH and FADH2 while significantly improving enzyme activity compared to conventional blue-light systems. To further suppress enzyme deactivation caused by reactive oxygen species (ROS), we implement a dual protection strategy combining silica encapsulation and catalase, effectively protecting enzymes against short- and long-lived ROS over multiple catalytic cycles. These results highlight IDTBT-based red-light-driven photocatalysis as an efficient and enzyme-compatible strategy for sustained cofactor regeneration under mild aqueous conditions. 2026-07-31T15:00:00Z https://scholar.dgist.ac.kr/handle/20.500.11750/60627 Title: Quantum heterostructured catalytic materials for selective multi-carbon green products Author(s): Sharma, Manisha; Kumar, Deepak; Shukla, Sangeeta; Yu, Jong-Sung; Sharma, Rupendra Kumar; Mishra, Yogendra Kumar; Sharma, Raj Kishore; Sharma, Sanjeev Kumar Abstract: Quantum heterostructures have emerged as next-generation catalytic architectures capable of driving highly selective multi-carbon products for sustainable energy advancement. The quantum-confined electronic structures, ultrahigh surface-to-volume ratios, and interfacial charge dynamics enable efficient activation and transformation of inert carbon feedstocks, such as CO2, into value-added C2+ molecules. Recent breakthroughs in compositional modulation, defect engineering, and controlled lattice coupling have unlocked new pathways for tunable binding energetics, suppressed parasitic reactions, and enhanced multi-electron transfer kinetics. This review systematically addresses advances in 2D/3D-driven catalytic platforms, including TMDs, MXenes, MOFs, COFs, g-C3N4, and emerging layered materials, highlighting engineered hybrid interfaces that integrate the chemical selectivity of 2D surfaces with the structural robustness of 3D supports. Mechanistic insights from electro-, photo-, and bio-assisted catalytic systems are analysed with an emphasis on C-C coupling efficiency, intermediate stabilization, and product branching rules. Critical bottlenecks encompassing durability, systemlevel integration, theoretical uncertainties, and scalable manufacturing are assessed, alongside strategic directions for industrial-grade carbon valorisation. This article aims to chart a forward-looking roadmap toward converting anthropogenic carbon into sustainable fuels and chemicals through atomically precise catalytic design. 2026-02-28T15:00:00Z