Article
Chemistry, Physical
Sergey S. Shapovalov, Natalia A. Mayorova, Alexander D. Modestov, Andrei A. Shiryaev, Alexander Egorov, Vitali A. Grinberg
Summary: The structural characteristics and electrocatalytic activity of nanosized PtMo, PtFe, and PtMoSn catalysts deposited on highly dispersed carbon black were investigated. The results showed that the synthesized catalysts exhibited higher specific activity compared to a commercial catalyst.
Article
Chemistry, Physical
Shuai Shi, Xianglong Wen, Qinqin Sang, Shuai Yin, Kaili Wang, Jian Zhang, Min Hu, Huiming Yin, Jia He, Yi Ding
Summary: Designing catalyst layers with high proton conductivity in membrane electrode assemblies is crucial for proton exchange membrane fuel cells. The use of an ultrathin Pt-decorated nanoporous gold catalyst layer has been shown to significantly improve proton conduction and achieve excellent power density in carbon-free electrodes.
Article
Chemistry, Multidisciplinary
Gregory L. Tate, Bahareh Alsadat Tavakoli Mehrabadi, Wen Xiong, Adam Kenvin, John R. Monnier
Summary: Controlled deposition of metals is crucial for the creation of bimetallic catalysts with predictable composition. Continuous co-electroless deposition allows for the creation of bimetallic catalysts with control over composition, as demonstrated in the study on Cu-Pt mixed-metal shell catalysts for methanol electrooxidation. The ability to control the composition of bimetallic shells can be extended to other systems where the ratio of two metals is critical for catalytic performance.
Article
Materials Science, Multidisciplinary
M. W. D. Cooper, K. A. Gamble, L. Capolungo, C. Matthews, D. A. Andersson, B. Beeler, C. R. Stanek, K. Metzger
Summary: U3Si2, an advanced fuel candidate with high fissile density and thermal properties, has data gaps in thermophysical and thermomechanical properties. This study used DFT and MD simulations to predict point defect concentrations under irradiation, informing a creep model based on diffusional creep and dislocation creep, which compares well with experimental data and has been implemented in a fuel performance code. Demonstrations show negligible creep in U3Si2 due to its high thermal conductivity at low reactor temperatures.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Polymer Science
Yuting Guo, Takuya Mabuchi, Gaoyang Li, Takashi Tokumasu
Summary: Morphological evolution and adsorption mechanism of Nafion ionomers from aqueous solutions to Pt/C substrate surface were studied through coarse-grained molecular dynamics simulations. The coverage and distribution of ionomers were found to be influenced by the size and concentration of ionomer aggregates, requiring a balanced Pt/C ratio and appropriate distribution of Pt particles for optimal catalyst ink structure design and power performance improvement.
Review
Physics, Fluids & Plasmas
Jon Tomas Gudmundsson, Andre Anders, Achim von Keudell
Summary: Physical vapor deposition is a method that removes atoms from a solid or liquid and deposits them on a nearby surface to form a thin film or coating. Various techniques are used to release the atoms, with magnetron sputtering being the most widely used technique. This article provides a brief overview of different PVD techniques, focusing on magnetron sputtering, and discusses and compares the advantages and drawbacks of each technique.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Analytical
Matthias Lorenz, Junting Zhang, Alexander G. Shard, Jean-Luc Vorng, Paulina D. Rakowska, Ian S. Gilmore
Summary: A technique for directed transfer of molecules onto a sample surface inside a ToF-SIMS instrument using GCIB sputtering is introduced, with an example application in ME SIMS. This method does not require solvents, can be interlaced with SIMS depth profiling and 3D imaging cycles, and allows fine tuning of molecular deposition. Further study and optimization are needed to enhance signal ratios for drug molecules.
ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Physical
Jinlong Li, Huiyuan Liu, Weiqi Zhang, Qian Xu, Sae Youn Lee, Narayanamoorthy Bhuvanendran, Huaneng Su
Summary: The catalyst layer (CL) plays a crucial role in the performance of proton exchange membrane fuel cells (PEMFCs). In this study, a mild and simplified strategy is used to in-situ grow Pt-Pd alloy catalysts on the gas diffusion layer (GDL) as CLs for PEMFCs. The optimal atomic ratio of Pt/Pd is determined to be 1/2, which exhibits excellent cell performance and stability.
JOURNAL OF POWER SOURCES
(2023)
Article
Materials Science, Multidisciplinary
Ashwani Kumar, Shekhar Tyagi, Rinku Kumar, Siddharth Sharma, Meenakshi Sharma, Ravikant Adalati, Yogesh Kumar, Ramesh Chandra
Summary: 2D layered MoS2-carbon composite developed with the DC sputtering technique shows promise as an electrode material, with good phase purity and nanoworm structures suitable for charge storage. Elemental mapping and XPS confirm the appropriate compositional and valence states of the composite.
Article
Chemistry, Physical
Jaehyeong Lee, Dohyun Go, Hyong June Kim, Byung Chan Yang, Taeyoung Kim, Jeong Woo Shin, Geonwoo Park, Jihwan An
Summary: Modifying the electronic structure and reducing the surface energy of Pt through transition metal alloying is an effective strategy to enhance the activity and stability of Pt-based catalysts in low-temperature solid oxide fuel cells (LT-SOFCs). In this study, co-sputtered Pt/Ti alloy cathodes with varying Pt/Ti compositional ratios (Ti 0-26 at%) were fabricated and tested. The results showed that the cell with the optimal Pt/Ti alloy cathode demonstrated a five times lower degradation rate in activation resistance compared to a pure Pt cathode at 450 degrees C, resulting in a 33% enhancement in the maximum power density after 2 hours of operation. The performance enhancement of the Pt/Ti alloy cathode at elevated temperature was attributed to the formation of a catalytically active and thermally stable Pt3Ti alloy phase.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Engineering, Environmental
Chao Hao, Qinghao Meng, Bowen Yan, Jia Liu, Bin Yang, Ligang Feng, Pei Kang Shen, Zhi Qun Tian
Summary: Developing a catalyst layer with high stability and efficient mass transport is crucial for fabricating proton exchange membrane fuel cells (PEMFCs) with ultra-low Pt loading. In this study, a newly designed catalyst layer using a three-dimensional graphene network (3D-GN) was developed. The 3D-GN provides a stable framework for supporting Pt nanoparticles and efficient mass transport pathways. The Pt/3D-GN electrode exhibits higher cell performance and excellent stability compared to conventional carbon nanosphere-based electrodes.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Nanoscience & Nanotechnology
Junmo Koo, Heon Jun Jeong, Wonjoon Choi, Joon Hyung Shim
Summary: Platinum-carbon nanotube (CNT) catalysts were evaluated as cathode catalysts for polymer electrolyte membrane fuel cells. Pt catalysts were fabricated using atomic layer deposition on bare or O2 plasma treated CNTs. The morphology of the Pt particles differed on the two types of CNT supports, leading to differences in electrochemical and fuel cell performance. Factors other than geometric features also influenced fuel cell performance.
SCRIPTA MATERIALIA
(2023)
Article
Electrochemistry
Zhang Shixuan, Li Donghao, Jiang Jiwei, Li Fengxiang, Hua Tao
Summary: In this study, a platinum single-atom skin catalyst with densely accessible Pt-N4 moieties named Pt SAs-BCN was prepared by electrochemical deposition, which is more beneficial for large-scale industrial preparation of single-atom catalysts. The obtained Pt SAs-BCN exhibited highly efficient and stable oxygen reduction reaction activity, making it suitable for air-cathode microbial fuel cells.
ELECTROCHIMICA ACTA
(2023)
Article
Chemistry, Multidisciplinary
Gaoqiang Yang, Siddharth Komini Babu, Wipula P. R. Liyanage, Ulises Martinez, Dmitri Routkevitch, Rangachary Mukundan, Rodney L. Borup, David A. Cullen, Jacob S. Spendelow
Summary: This work presents a new catalyst/electrode architecture that eliminates the primary degradation mechanisms in conventional electrodes, enabling improved durability and faster mass transport. The unique coaxial nanowire electrode (CANE) design increases platinum utilization and eliminates the need for carbon support and ionomer binder. Fuel cell membrane electrode assemblies based on CANEs demonstrate extraordinary durability and high power density, enabling the rapid deployment of fuel cells in various clean energy applications.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
A. Touni, Ch Papoulia, E. Pavlidou, D. Karfaridis, D. Lambropoulou, S. Sotiropoulos
Summary: Mixed Ir-Pt electrocatalytic films were prepared on Ti metal supports via galvanic deposition, and their bifunctional electrocatalytic performance was evaluated. The results demonstrated satisfactory performance of the prepared films towards both oxygen evolution and reduction reactions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Physics, Applied
Gautier Tetard, Armelle Michau, Swaminathan Prasanna, Jonathan Mougenot, Pascal Brault, Khaled Hassouni
Summary: A numerical model was used to investigate the effect of acetylene concentration on molecular growth and solid particle nucleation in argon-acetylene CCRF discharges. The results showed that at low acetylene concentrations, the ionization kinetic is driven by the Penning process and the molecular growth is governed by neutral polyynes. On the other hand, at high acetylene concentrations, the ionization kinetic is driven by the electron-impact process, leading to increased concentration of neutral polyynes and enhanced nucleation rate.
PLASMA PROCESSES AND POLYMERS
(2022)
Article
Geochemistry & Geophysics
Jehiel Nteme, Stephane Scaillet, Pascal Brault, Laurent Tassan-Got
Summary: In this study, Molecular Dynamics (MD) simulations were used to investigate the atomic-scale behavior of 40Ar lattice diffusion in muscovite. The results revealed that the divacancy mechanism is the energetically favorable pathway for 40Ar diffusion in the interlayer region. The computed migration barriers predicted closure temperatures significantly higher than currently accepted maximum estimates, suggesting that the efficiency of 40Ar transport in muscovite may have been overestimated. The study emphasizes the need for considering more complex physics to explain the 40Ar retention properties in natural muscovite.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2022)
Article
Chemistry, Physical
Andrea Jagodar, Johannes Berndt, Thomas Strunskus, Thomas Lecas, Eva Kovacevic, Pascal Brault, Erik von Wahl
Summary: The interest in doped and functionalized graphene nanomaterials is growing due to the development of new and simple production and treatment methods. This study investigates the incorporation of nitrogen atoms into the carbon network of graphene sheets using a low temperature plasma technique. The results provide insights into the balance between vacancy formation, functionalization, doping, and crosslinking during the plasma post treatment of graphene nanowalls.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Attila Kovacs, Maksudbek Yusupov, Iris Cornet, Pieter Billen, Erik C. Neyts
Summary: This study investigates the influence of natural deep eutectic solvents (NADES) with various molar compositions on the stability and structure of enzymes using molecular dynamics simulations. The results show that the studied NADES systems do not significantly disrupt the microstructure of the solvent or the stability of the enzyme. The enzyme maintains its initial structure and hydrogen bonds in all investigated compositions, including NADES with increased hydrogen bond donating compound ratios. The molar ratio can be an additional variable to fine-tune the physicochemical properties of NADES without altering the enzyme characteristics.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Parisa Nematollahi, Erik C. Neyts
Summary: This study identified two active sites in pyrolyzed Fe-N-C materials, studied their influence on the nitrogen reduction reaction (NRR), and investigated the impact of NH2 adsorption as a functional ligand on catalyst performance.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Review
Optics
Pascal Brault, Anne-Lise Thomann, Marjorie Cavarroc
Summary: This review provides an overview of sputtering theory and recent models, with a focus on sputtered atom energy distribution functions. Molecular models such as Monte-Carlo, kinetic Monte-Carlo, and classical Molecular Dynamics simulations are used to describe the atomic and molecular scale processes involved in sputter deposition. These simulations can address sputter plasma, sputtering mechanisms, transport of sputtered material, and thin film growth. The underlying methodologies and selected mechanisms are highlighted.
EUROPEAN PHYSICAL JOURNAL D
(2023)
Article
Chemistry, Physical
Kristof M. Bal, Erik C. Neyts
Summary: We calculate bubble nucleation rates in a Lennard-Jones fluid using molecular dynamics simulations and validate common modeling techniques. The results show consistent rate predictions from different methods, except for the rates derived from forward flux sampling simulations, which are outliers.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Physics, Applied
Glenn O. Kandjani, Pascal Brault, Maxime Mikikian, Gautier Tetard, Armelle Michau, Khaled Hassouni
Summary: Molecular dynamics simulations were used to investigate reactions in a low-pressure methane plasma diluted in argon. A 1D fluid model was utilized to determine the initial molar fractions of species, which served as input for the reactive molecular dynamics simulations. The study was conducted at temperatures of 300, 400, 500, and 1000 K. The results showed that increasing the temperature expanded the range of molecules formed, with C2H as the main precursor and CH3 as the main intermediate precursor for the formation of large molecules.
PLASMA PROCESSES AND POLYMERS
(2023)
Article
Chemistry, Analytical
Julien Vander Steen, Florent Boissou, Michel Luhmer, Claudine Buess-Herman, Steve Baranton, Christophe Coutanceau, Thomas Doneux
Summary: The electroreduction of furfural, a platform chemical derived from lignocellulosic biomass and agricultural waste, was investigated in a Deep Eutectic Solvent (DES) unconventional medium using in-situ FTIR spectroscopy and cyclic voltammetry on gold and copper electrodes. The stability of furfural in two commonly used DES, choline chloride/urea 1:2 and glycerol 1:2, was analyzed using NMR spectroscopy, and choline-glycerol DES medium was selected. The instability of furfural in choline chloride/urea 1:2 and a specific reaction between urea and furfural were observed. The electrochemical stability of the glycerol DES and the behavior of furfural were monitored using FTIR measurements, and the reduction product, furfuryl alcohol, was identified. The influence of electrode morphology on the stability of the DES and furfural behavior was studied through the synthesis of Au/C and Cu/C nanoparticles.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
A. Fernandez, T. Sauvage, B. Diallo, D. Hufschmidt, M. C. Jimenez de Haro, O. Montes, J. M. Martinez-Blanes, J. Caballero, V. Godinho, F. J. Ferrer, S. Ibrahim, P. Brault, A. -L. Thomann
Summary: The microstructure and composition of Si-He nanocomposite films deposited by magnetron sputtering (MS) with different operation modes were compared. The films exhibited different depth compositions, nanopore size and shape distributions, porosity, and He content depending on deposition conditions. The presence of impurities promoted He diffusivity and reduced He accumulation. The release of He occurred at temperatures ranging from 473-723 K without film crystallization, and films grown in RF mode remained stable up to 573 and 723 K for 4He and 3He content respectively.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Chemistry, Physical
A. Allouch, J. Mougenot, A. Michau, S. Prasanna, P. Brault, F. Maurel, K. Hassouni
Summary: This study investigated the mechanisms of carbon sticking reactions to C-36 and C-C-80 fullerenes using molecular dynamics simulations. The results showed the existence of three possible sticking configurations, and while the two potentials gave similar magnitudes for sticking cross-sections, they yielded different results in terms of sticking mechanisms and configurations.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Physics, Applied
Pascal Brault, Florin Bilea, Monica Magureanu, Corina Bradu, Olivier Aubry, Herve Rabat, Dunpin Hong
Summary: Ab initio molecular dynamics simulations and experiments were conducted to investigate the interaction between plasma-produced hydroxyl radicals and organic pollutants in wastewater. The simulation method was validated using phenol degradation products and then applied to the more complex molecule of sulfamethoxazole (SMX). The comparison with experimentally detected intermediate products during plasma treatment of SMX solutions confirms the hydroxylation of the benzene and isoxazole rings observed in some of the simulations.
PLASMA PROCESSES AND POLYMERS
(2023)
Article
Physics, Applied
Glenn-Christopher Otakandza-Kandjani, Pascal Brault, Maxime Mikikian, Armelle Michau, Khaled Hassouni
Summary: Molecular dynamics simulations are used to calculate the surface loss probabilities of neutral species in an argon-methane plasma. These probabilities account for both sticking and surface recombination. The study considers the formation of reactive and nonreactive volatile species and finds that stable species are reflected when a hydrocarbon film starts growing on the surface. CH3 is mainly lost through surface recombination, leading to volatile product formation rather than film growth. The surface loss probability of C2H is consistent with previous literature, but our results show that its main loss process is surface recombination rather than sticking.
PLASMA PROCESSES AND POLYMERS
(2023)
Article
Materials Science, Multidisciplinary
Sara Fazeli, Pascal Brault, Amael Caillard, Anne-Lise Thomann, Eric Millon, Soumya Atmane, Christophe Coutanceau
Summary: In this study, the impact of vacancy defects and nitrogen doping on the properties of tetragonal zirconia (t-ZrO2) was investigated. Oxygen-deficient t-ZrO2 showed a smaller bandgap and enhanced plasticity, while nitrogen-doped t-ZrO2 had a smaller bandgap but weaker plasticity. The results suggest that oxygen-deficient t-ZrO2 is a promising semiconductor material for photoelectrochemical energy conversion applications due to its smaller bandgap and higher plasticity.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Physics, Fluids & Plasmas
Fahim Faraji, Mehdi Neek-Amal, Erik C. Neyts, Francois M. Peeters
Summary: Molecular dynamics simulations were conducted to investigate the influence of different cations on the permeation of charged polymers through narrow capillaries. It was discovered that Li+, Na+, and K+ cations, despite being monovalent, have distinct effects on polymer permeation and subsequent transmission speed. This phenomenon was attributed to the interplay between cations' hydration free energies and the hydrodynamic drag experienced by the polymer. Additionally, alkali cations exhibited surface-to-bulk preferences in small water clusters under an external electric field. The paper presents a new approach to controlling the speed of charged polymers in confined spaces using cations.
Article
Chemistry, Physical
Bolun Yu, Denan Li, Qianqian Zhu, Shufan Yao, Lifeng Zhang, Yanshuo Li, Zhenxin Zhang
Summary: This study successfully improved the catalytic activity of a zeolitic octahedral metal oxide by incorporating a single zinc species into its micropore. The zinc incorporation achieved a high ethane conversion rate and ethylene selectivity. Mechanism study showed that the isolated zinc site played a crucial role in activating oxygen and ethane, as well as stabilizing intermediates and transition states.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Ruoqi Liu, Hao Fei, Jian Wang, Ting Guo, Fangyang Liu, Zhuangzhi Wu, Dezhi Wang
Summary: This work successfully synthesized a high-performing S-enriched MoS2 catalyst for electrocatalytic nitrogen reduction reaction (NRR), demonstrating high activity and selectivity. The synergistic effect of the 1T phase and bridging S22- species was shown to play a positive role in NRR performances, and DFT calculations revealed the mechanism behind the improved performance.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Pan Xia, Lele Zhao, Xi Chen, Zhihong Ye, Zhihong Zheng, Qiang He, Ignasi Sires
Summary: This study presents a modified gas-diffusion electrode (GDE) for highly efficient and stable H2O2 electrosynthesis by using trace polymethylhydrosiloxane (PMHS). DFT calculations provide an in-depth understanding of the roles of PMHS functional groups.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Kwangchol Ri, Songsik Pak, Dunyu Sun, Qiang Zhong, Shaogui Yang, Songil Sin, Leliang Wu, Yue Sun, Hui Cao, Chunxiao Han, Chenmin Xu, Yazi Liu, Huan He, Shiyin Li, Cheng Sun
Summary: Different B-doped rGO catalysts were synthesized and their 2e- oxygen reduction reaction (ORR) performance was investigated. It was found that the 2e- ORR selectivity of B-doped rGO was influenced by the B content and oxygen mass transfer conditions. The synthesized catalyst exhibited high 2e- ORR selectivity and was capable of degrading organic pollutants continuously.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Li Lv, Lin Lei, Qi-Wen Chen, Cheng-Li Yin, Huiqing Fan, Jian-Ping Zhou
Summary: Monoclinic phase La2Ti2O7 and orthorhombic phase Bi4Ti3O12 are widely used in photocatalysis due to their layered crystal structure. The electronic structures of these phases play a crucial role in their photocatalytic activity. Heat treatment in a nitrogen atmosphere introduces more oxygen vacancies into the S-scheme heterojunction, leading to enhanced NO removal efficiency.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Choe Earn Choong, Minhee Kim, Jun Sup Lim, Young June Hong, Geon Joon Lee, Keun Hwa Chae, In Wook Nah, Yeomin Yoon, Eun Ha Choi, Min Jang
Summary: In this study, the synergistic effect between argon-plasma-system (AP) and catalysts in promoting the production of reactive species for water remediation was investigated. By altering the oxygen vacancies concentration of CeO2/Bi2O3 catalyst, the production of hydrated electrons was stimulated for PFOA removal. The results showed that the built-in electric field in the Bi/Ce0.43 interface enhanced electron migration and eaq- generation, leading to improved PFOA removal efficiency.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Yushan Wu, Di Xu, Yanfei Xu, Xin Tian, Mingyue Ding
Summary: Efficient synthesis of primary amines from carbonyl compounds was achieved via reductive amination using Ru@NC-Al2O3 as a catalyst, exhibiting high activity and selectivity under mild conditions.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Yilan Jiang, Peifang Wang, Tingyue Chen, Keyi Gao, Yiran Xiong, Yin Lu, Dionysios D. Dionysiou, Dawei Wang
Summary: By controlling the content of Co and Ni in Co1-xNixFe2O4, the production of O-1(2) from H2O2 can be regulated. NiFe2O4, with the lowest lattice distortion degree, can efficiently produce O-1(2) as the dominant reactive oxygen species. The system also exhibits significant resistance to water matrix interference.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Shuai Feng, Donglian Li, Hao Dong, Song Xie, Yaping Miao, Xuming Zhang, Biao Gao, Paul K. Chu, Xiang Peng
Summary: In this study, MoO2/Mo2N heterostructures were prepared by regulating the coordination of Mo atoms. The electrocatalyst exhibits high current density and excellent stability for hydrogen evolution reaction.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Jia-Cheng E. Yang, Min -Ping Zhu, Daqin Guan, Baoling Yuan, Darren Delai Sun, Chenghua Sun, Ming-Lai Fu
Summary: This study successfully modulated the electron configuration and spin state of millimetric metal catalysts by adjusting the support curvature radius. The electronic structure-oriented spin catalysis was found to affect the degradation of pollutants, providing new insights for the design and production of highly active, reusable, and stable catalysts.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Tao Zhong, Su Tang, Wenbin Huang, Wei Liu, Huinan Zhao, Lingling Hu, Shuanghong Tian, Chun He
Summary: In this study, a highly efficient photocatalyst for the elimination of CH3SH was developed by engineering different crystal facets and coupling them with PHI. Cu (111)/PHI exhibited the highest elimination efficiency and showed good stability and reusability. The enhanced surface electron pump effect and effective adsorption mechanisms were revealed through comprehensive characterizations and DFT calculations.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
Article
Chemistry, Physical
Feifei Yang, Tianyu Zhang, Jiankang Zhao, Wei Zhou, Nicole J. Libretto, Jeffrey T. Miller
Summary: A Ni3Sn intermetallic nano particle was found to have geometrically isolated Ni sites that could selectively cleave C-O bonds in biomass derivatives. This nano particle showed high activity and selectivity towards 2-methylfuran, unlike Ni nanoparticles that produced other unwanted products derived from the aromatic rings.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2024)
Article
Chemistry, Physical
Lulu Qiao, Di Liu, Anquan Zhu, Jinxian Feng, Pengfei Zhou, Chunfa Liu, Kar Wei Ng, Hui Pan
Summary: This study reveals that surface evolution plays a crucial role in enhancing the electrocatalytic performance of transition metal oxides for electrochemical nitrate reduction reaction (e-NO3RR). Incorporating nickel into Co3O4 can promote surface reconstruction and improve the adsorption of intermediates and reduce energy barriers, leading to enhanced catalytic performance. The reconstructed cobalt-nickel hydroxides (CoyNi1_y(OH)2) on the catalyst's surface serve as the active phase.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2024)
Article
Chemistry, Physical
Xinyu Song, Yang Shi, Zelin Wu, Bingkun Huang, Xinhao Wang, Heng Zhang, Peng Zhou, Wen Liu, Zhicheng Pan, Zhaokun Xiong, Bo Lai
Summary: This study explores the discriminative activities and mechanisms for activation of O-O bond in peroxy compounds via single-atom catalysts (SACs) with higher coordination numbers (M-N5). The atomic catalyst (Fe-SAC) with Fe-N5 as the active center was constructed, effectively activating peroxymonosulfate (PMS), peroxydisulfate (PDS), and hydrogen peroxide (H2O2). The study demonstrates the degradation efficiencies of acyclovir are related to the O-O bond length in different peroxy compounds, and reveals the discriminative mechanisms for activation of O-O bond in different Fenton-like systems.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2024)
Article
Chemistry, Physical
Yangzhuo He, Hong Qin, Ziwei Wang, Han Wang, Yuan Zhu, Chengyun Zhou, Ying Zeng, Yicheng Li, Piao Xu, Guangming Zeng
Summary: A dual-metal-organic framework (MOF) assisted strategy was proposed to construct a magnetic Fe-Mn oxycarbide anchored on N-doped carbon for peroxymonosulfate (PMS) activation. The FeMn@NC-800 catalyst exhibited superior activity with almost 100% degradation of sulfamethazine (SMZ) in 30 minutes. The study provided insights for the rational design of high-performance heterogeneous catalysts and proposed a novel nonradical-based catalytic oxidation for environmental cleaning.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2024)
