Faculty Publications

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Author: search.filters.author.Chul Kim, B.

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    Mechanistic insight and first principle analysis of cation-inverted zinc ferrite nanostructure: A paradigm for ppb-level room temperature NOx sensor
    (Elsevier B.V., 2024) Nath, V.G.; Ray, S.; Rodney, J.D.; Prakasha Bharath, S.; Roy, S.; Tarafder, K.; Subramanian, A.; Chul Kim, B.
    Herein, we adopted a new paradigm for developing a high-performance gas sensor by leveraging the mixed spinel ZnFe2O4 structure (mZFO) to enhance the adsorption of NOx molecules. Material characterization reveals the formation of the mZFO due to the cation inversion in lattice sites. The estimated value of the inversion degree is observed to shift from 0.78 to 0.39 with an increase in the calcination temperature. The mZFO nanoparticles calcined at 500 °C show exceptional sensing performance due to their suitable grain size (∼2 times Debye length), neck diameter, and surface area. The sensing studies conducted at various NOx concentrations indicate that the sensor can detect ppb level of NOx with a detection limit of about 9 ppb at room temperature. The detailed sensing mechanism is elucidated based on the density functional theory calculations (DFT) and Bader charge analysis. The outstanding sensor performance is attributed to the formation of a mixed spinel structure, wherein the adsorption energy of NOx (∼-0.6 eV) in the presence of surface adsorbed oxygen is higher than that of the normal spinel structure (∼-0.1 eV). Furthermore, the sensor exhibited a fast response and recovery times (7 and 92 s at 800 ppb NO2), excellent stability, and selectivity. The practical suitability of the mZFO sensor was studied by analyzing the vehicle exhaust emissions. We strongly believe this work would pave a novel approach to developing a high-potential gas sensor by modifying the cation distributions in the spinel ferrites. © 2024 Elsevier B.V.
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    Cerium-Modulated Zinc Oxide for enhanced Photoelectrochemical Non-Enzymatic biosensing of Cholesterol: An experimental and First Principle Analysis
    (Elsevier B.V., 2024) Rao, L.; Rodney, J.D.; Joy, A.; Shivangi Nileshbhai, C.; James, A.; S, S.; Joyline Mascarenhas, F.; Udayashankar, N.K.; Anjukandi, P.; Chul Kim, B.; Badekai Ramachandra, B.R.
    Herein, we synthesized CexZn1-xO (x = 0.00, 0.01, 0.02, and 0.03) using the wet chemical method. The investigation explores photoelectrochemical (PEC) biosensors for enzyme-free detection of cholesterol, employing Ce0.03Zn0.97O (CZO3)/Nickel Foam (NF) as the active material. The investigation revealed notable enhancements in sensitivity for cholesterol detection, with a recorded activity of 2.812 mA.mM?1.cm?2, marking a twofold increase in comparison to dark mode (1.37 mA.mM?1.cm?2). The Limit of Detection (LOD) was determined to be 17 µM (light) and 28 µM (dark), while the Limit of Quantification (LOQ) was measured at 54 µM (light) and 98 µM (dark) in 0.1 M KOH solution. These findings demonstrate a linear detection range spanning from 80 µM to 2 mM. Ab-initio calculations based on Density Functional Theory (DFT) were carried out on 101 surfaces of both pristine ZnO and CZO3 to understand how the doping affected the pristine ZnO band gap. The findings indicate that CZO3 exhibits superior activity compared to pristine ZnO, underscoring its enhanced performance and potential for sensing application. The CZO3/NF photoelectrochemical (PEC) biosensor displayed notable cyclic stability, retaining 97 % of its performance over a 60-day period. This underscores its potential for reliable and enduring operation in biosensing applications. Additionally, CZO3/NF exhibited robust sensing capabilities when utilized with human serum samples, showcasing consistent performance in both dark and illuminated conditions. © 2024 Elsevier B.V.