Chemistry, Physical

Article Chemistry, Physical

Bifunctional Co active site on dilute CoCu plasmonic alloy for light-driven H2 production from methanol and water

Wen-Ning Lu, Shunqin Luo, Yibo Zhao, Jianbing Xu, Gaoliang Yang, Emmanuel Picheau, Minmin Han, Qi Wang, Sijie Li, Lulu Jia, Ming-Xing Ling, Tetsuya Kako, Jinhua Ye

Summary: A low-cost plasmonic Co-Cu alloy catalyst is reported for efficient hydrogen production through a light-driven process. The catalyst reduces the energy barrier of the CH3OH/H2O reaction, achieving reactant activation through the Co-Cu interface and hot-carrier-induced processes.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Constructing molybdenum vacancy defect for MoP with optimized p-band center towards high-efficiency hydrogen evolution

Ting Guo, Hao Fei, Ruoqi Liu, Fangyang Liu, Dezhi Wang, Zhuangzhi Wu

Summary: This study introduces Mo vacancies into MoP, achieving high-efficiency hydrogen evolution. The redistribution of charge around the Mo vacancies creates ideal catalytic sites on P atoms, and an internal polarization field provides a more efficient mechanism for hydrogen delivery, resulting in fast HER kinetics and surpassing commercial Pt/C catalysts.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Mutual promotion by structural design and intrinsic activity coupling of CNTs/MoC/CoNiMo for water splitting and urea electrolysis

Xuesong Liu, Kuan Deng, Peng Liu, Xingbin Lv, Wen Tian, Kui Ma, Hongjiao Li, Junyi Ji

Summary: In this study, a hierarchical integrated electrode with tri-functional heterostructure was developed for efficient hydrogen production and urea-containing wastewater purification. The electrode exhibited abundant active intermediates, rapid bubbles release, and expanded accessible surface area.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

By-product reduction for the non-thermal plasma removal of toluene using an α-MnO2/Cordierite honeycomb monolithic catalyst in a honeycomb structure

Qianqian Yan, Jiafan Ji, Yi Chen, Gaosheng Zhao, Bin Jia, Li Xu, Ping Cheng

Summary: This study investigates the reduction of by-products during NTP degradation of toluene using α-MnO2/Cordierite honeycomb monolithic catalyst. The results show that the catalyst improves degradation efficiency and selectivity while reducing the release of hazardous by-products. Online monitoring reveals that toluene degradation occurs through direct degradation by energetic electrons and reactive radicals, as well as deep oxidation by active oxygen species on the catalyst surface.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Seeing the light: The role of cobalt in light-assisted CO2 methanation

George E. P. OConnell, Tze Hao Tan, Jodie A. Yuwono, Yu Wang, Amanj Kheradmand, Yijiao Jiang, Priyank Kumar, Rose Amal, Jason Scott, Emma C. Lovell

Summary: Illuminating thermal catalysts with visible light can reduce the thermal requirements of CO2 methanation. The loading of cobalt affects the visible light-assisted reaction mechanism. 10Co/CeO2 shows the highest CO2 conversion rate at 450 degrees C, while 7.5Co/CeO2 exhibits the best light enhancement.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Modulation of electronic spin state and construction of dual-atomic tandem reaction for enhanced pH-universal oxygen reduction

Lilian Wang, Qi An, Xuelin Sheng, Zhiyuan Mei, Qi Jing, Xinyu Zhao, Qijun Xu, Lingyan Duan, Xiaoxiao Zou, Hong Guo

Summary: By combining the advancements in electronic spin state modulation and tandem reaction mechanism, a dual iron-copper catalyst is designed at the atomic level to enhance oxygen reduction capability. The catalyst achieves intense interaction between the iron-copper site and its coordination environment, which not only controls charge flow at the atomic level, but also regulates electron configuration. These modulations optimize orbital interaction and pair hardness between acceptor and donor, resulting in fast tandem reaction kinetics that overcomes the limitations of Scaling Relation. The bimetal catalyst demonstrates high activity and stability in oxygen reduction, even outperforming the benchmark Pt/C in pH-universal electrolytes. Furthermore, Fe,Cu/N-C driven Zn-air batteries show excellent performance in alkaline and neutral electrolytes. This work provides a useful design principle for developing or optimizing other efficient oxygen reduction catalysts.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Highly-dispersed surface NiO species and exposed Ni (200) facets facilitating activation of furan ring for high-efficiency total hydrogenation of furfural

Qiuju Fu, Liting Yan, Dandan Liu, Shuo Zhang, Huimin Jiang, Wenpeng Xie, Lingzhi Yang, Yujia Wang, Haiyan Wang, Xuebo Zhao

Summary: In this study, a carbon-embedded Ni-based catalyst was successfully prepared using a unique method and its performance was tested. The catalyst exhibited excellent catalytic performance with high conversion and selectivity towards the total hydrogenation of furfural. Additionally, a new testing method was designed to investigate the adsorption behavior between reactants and catalysts, providing important experimental results for understanding the catalytic reaction mechanism.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Insights into enhancement of NH3-SCR activity and N2 selectivity of LDHs-derived NiMnAlOx catalysts: Combination of experiments and DFT calculations

Qinghua Yan, Jiewen Xiao, Rongrong Gui, Zhenyu Chen, Yuxin Wang, Yuran Li, Tingyu Zhu, Qiang Wang, Yanjun Xin

Summary: The LDHs-derived NiMnAlOx catalysts showed improved catalytic performance in NH3-SCR denitration technology, with high NOx conversion and N2 selectivity, as well as better resistance to SO2.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

On-site catalytic wastewater remediation by sustainably produced H2O2 via scalable single-atomic Fe-incorporated Janus membrane

Yuhan Wu, Yifei Wang, Ruyan Chen, Jiaqing Xu, Yifei Wang, Hangyuan Zhang, Yifan Ding, Beibei Li, Shuying Dong, Shixue Dou, Xiao Zhang, Jingyu Sun, Jianhui Sun

Summary: In this study, a flexible and scalable Janus electrode was proposed to achieve high H2O2 production rate and selectivity by optimizing the design of the catalytic layer and the hydrophobic layer. The electrode can be used for on-site wastewater treatment and eco-restoration, and has high application potential.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Cobalt-doped carbon nanodots as an interfacial modifier for efficient solar-driven water splitting

Jingyi Lin, Runlu Liu, Xin Li, Yixin Zhao, Lingti Kong, Yao Li, Shenmin Zhu, Lianzhou Wang

Summary: This study utilizes cobalt-doped carbon nanodots as an auxiliary material to efficiently extract charges from BiVO4 and accelerate surface reactions, leading to improved photocurrent density and stability. Carbon nanodots are found to be excellent interfacial modifiers, activating and stabilizing cobalt atoms while tightly anchoring onto BiVO4.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

CO2-assisted propane dehydrogenation to aromatics over copper modified Ga-MFI catalysts

Kankan Bu, Yikun Kang, Yefei Li, Yahong Zhang, Yi Tang, Zhen Huang, Wei Shen, Hualong Xu

Summary: This study fabricates a Cu/Ga-MFI catalyst with well-dispersed framework Ga species and achieves high selectivity for aromatics production. The Ga atoms in the MFI framework create a moderate acid strength, while the introduced Cu provides an appropriate acid distribution, enhancing the synergy between metal-related species and the zeolite. Additionally, DFT simulation results suggest that the acid sites in Ga-MFI are more preferable for propane dehydrogenation. Furthermore, CO2 can inhibit coke formation, endowing Cu/Ga-MFI catalyst with excellent anti-coking ability and regeneration stability.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Synthetic routes of clean hydrocarbons fuels and oxygenates by catalytic conversions of carbon oxides

Hyun Seung Jung, Byeong Gi Kim, Jong Wook Bae

Summary: This paper summarizes the catalytic activities and reaction mechanisms of COx conversions, and strategies for improving catalytic activity and stability. It also discusses the use of tandem reactions with hybrid catalysts to efficiently utilize methane gas with high CO/CO2 content.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Selective glucose oxidation to glucaric acid using bimetallic catalysts: Lattice expansion or electronic structure effect?

Zan Lavric, Janvit Terzan, Ana Kroflic, Janez Zavasnik, Joanna Elzbieta Olszowka, Stefan Vajda, Matej Hus, Miha Grilc, Blaz Likozar

Summary: Our study presents a comprehensive approach for the selective oxidation of glucose to glucaric acid (GA) by heterogeneous catalysis. We synthesized and characterized Au/ZrO2, AuCu/ZrO2, and AuPt/ZrO2 catalysts and found that bimetallic catalysts form alloys, which exhibit different characteristics than monometallic counterparts. We also constructed a predictive microkinetic model and found that AuPt/ZrO2 showed the highest selectivity. These results provide valuable insights for the developing of efficient catalysts and point out the bottlenecks for the oxidation of glucose to GA.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Operando induced strong metal-support interaction of Rh/CeO2 catalyst in dry reforming of methane

Yuvaraj Gangarajula, Feng Hong, Qinghe Li, Xunzhu Jiang, Wei Liu, Mohcin Akri, Yang Su, Yanjie Zhang, Lin Li, Botao Qiao

Summary: This study demonstrates that inducing CO2-SMSI can greatly enhance the catalytic activity in DRM reaction, providing a new approach to overcome the limitation of classical SMSI catalyst.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Interpretable machine learning framework for catalyst performance prediction and validation with dry reforming of methane

Jiwon Roh, Hyundo Park, Hyukwon Kwon, Chonghyo Joo, Il Moon, Hyungtae Cho, Insoo Ro, Junghwan Kim

Summary: This research proposes an interpretable machine learning framework that effectively preprocesses data and analyzes results, leading to improved model accuracy and valuable insights. The framework has the potential for significant importance in catalyst design.

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY (2024)

Article Chemistry, Physical

Understanding the synergistic effect of hydrated electron generation from argon plasma catalysis over Bi2O3/CeO2 for perfluorooctanoic acid dehalogenation: Mechanism and DFT study

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

Facile synthesis of ultrafine iron-cobalt (FeCo) nanocrystallite-embedded boron/nitrogen-codoped porous carbon nanosheets: Accelerated water splitting catalysts

Lan Xiao, Yibin Wang, Tingzheng Fu, Qiusen Liu, Fei Guo, Yingjie Zhang, Mian Li, Xiangjie Bo, Tingting Liu

Summary: In this study, a low-cost method for large-scale and rapid synthesis of three-dimensional hierarchically porous structures composed of ultrafine FeCo nanoparticles embedded in boron/nitrogen-codoped two-dimensional porous carbon nanosheets was developed for the first time. The optimal sample exhibited excellent water splitting performance, surpassing commercial catalysts, and showcased outstanding stability. This study provides an efficient strategy for the synthesis of two-dimensional porous carbon nanosheets without the need for templates, surfactants, or expensive precursors.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2024)

Article Chemistry, Physical

Combined experimental and theoretical investigations on 1,4-Diazabicyclo [2.2.2]octane 4-nitrophenol (DONP) crystals

R. V. Kabilan, C. Arunagiri, S. Selvaraj, B. Yamini, C. Karnan

Summary: 1,4-Diazabicyclo[2.2.2]octane 4-nitrophenol (DONP) was synthesized and characterized in this study. The structure and vibrational properties of DONP were confirmed through experimental and theoretical analysis. The absorption and emission peaks in the UV-visible and fluorescence spectra were successfully explained based on the computational calculations.

JOURNAL OF MOLECULAR STRUCTURE (2024)

Article Chemistry, Physical

Transformation of CO2 into α-alkylidene cyclic carbonates at room temperature and atmospheric pressure by phthalimide based ionic liquids with inert cation and moderate basicity

Zhengkun Zhang, Jinya Li, Ruiyu Zhang, Xinyi Sun, Li Wang, Jinglai Zhang

Summary: The carboxylative coupling of CO2 with propargyl alcohols is an important route for CO2 reusability and the production of α-methylene cyclic carbonates. In this study, a novel ionic liquid [Pth][BTMA] was synthesized as a catalyst, along with AgOAc as a co-catalyst, achieving high product yields. The role of the cation and anion in the catalytic reaction was elucidated through experimental and theoretical calculations.

JOURNAL OF MOLECULAR STRUCTURE (2024)

Article Chemistry, Physical

Photoresponse of four D-A supramolecules derived from benzenecarboxylate donors and viologen acceptors

Fengyi Yang, Jiali Chen, Yuying Fu, Junwen Wang, Jinjian Liu

Summary: Four novel supramolecules based on viologen moiety and different benzenecarboxylic acids were synthesized. These materials exhibit obvious photochromic behaviors upon UV irradiation and possess photo-controlled fluorescence and inkless and erasable printing capabilities.

JOURNAL OF MOLECULAR STRUCTURE (2024)