Article
Chemistry, Physical
Naznin Shaikh, Indrajit Mukhopadhyay, Abhijit Ray
Summary: In this study, highly disordered Mn-doped 2D-MoS2 nanospheres were synthesized using a simple hydrothermal method. The doping increased the defects in the lattice, leading to an increased number of exposed edge sites and catalytically active high-index planes, thereby improving the material's physicochemical properties.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Engineering, Environmental
Kailu Guo, Yantao Wang, Junfeng Huang, Hua Li, Yong Peng, Cailing Xu
Summary: Creating dual-site catalysts that can provide good OH and H interaction sites for water dissociation and hydrogen adsorption is an effective strategy for improving hydrogen generation activity in alkaline medium. However, constructing a robust dual-site catalyst with multiple and efficient interfaces remains a significant challenge. In this study, a symbiotic Ni3Se4/Ni heterostructure is successfully synthesized using the thermodynamically unstable cubic NiSe2 phase as a sacrificial template. The Ni3Se4/Ni heterostructure exhibits optimized d-band center and electronic state of Ni sites, which is favorable for hydrogen adsorption. The Ni3Se4/Ni catalyst shows low overpotential for hydrogen generation in 1 M KOH, thanks to its good electrical conductivity, large electrochemical surface area, and distinct sites for water dissociation.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Boyuan Chen, Jiheng Wang, Siqi He, Yao Shen, Shuchen Huang, Hu Zhou
Summary: Modulation of electronic structure via heterointerface engineering is an appealing strategy to promote the hydrogen evolution reaction (HER) performance of a pH-universal electrocatalyst. In this study, a CoS2-MoS2 heterostructure with plentiful heterogeneous nanointerfaces is synthesized and exhibits superb catalytic activity and long-durability towards HER in both acidic and alkaline solutions. The synergistic modulation of electronic and geometric structures accounts for the excellent performance of CoS2-MoS2. This work provides an exciting avenue for fabricating efficient wide-pH electrocatalysts through an interface-induced strategy.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Di Li, Zhi-Fang Zhang, Zhi-Yun Yang, Wan-Ying Wu, Mao-Hui Zhang, Tian-Rang Yang, Quan-Sheng Zhang, Jing-Ying Xie
Summary: In this study, the Ni3P-Ni heterostructure confined in CNT networks was successfully prepared as an efficient and stable low-cost electrode for the hydrogen evolution reaction. By optimizing the Ni:Ni3P ratio, high catalytic activity and excellent stability were achieved.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Jiayi Chen, Xu Li, Bo Ma, Xudong Zhao, Yantao Chen
Summary: A novel core-shell heterostructure of Cu3P@Ni was fabricated, showing durable and superior activity towards hydrogen evolution, with altered electronic structure for accelerated charge transfer and increased intrinsic activity. This work could provide insights for the development of novel electrocatalysts with modulated electronic structure for highly efficient hydrogen evolution.
Article
Chemistry, Physical
Muhammad Ali, Saad M. Alqahtani
Summary: MXene-related materials with large surface area, strong metallic conductivity, and rapid redox activity are desirable electrodes for energy conversion and storage applications. However, surface aggregation, oxidation, and vacancies have hindered their applications. In this study, we computationally investigated the properties of 2D Ti3C2 MXene passivated with graphene using first-principles calculations. Graphene passivation enhances the thermodynamic and mechanical stability of MXene as well as its electrical conductivity. Intrinsic defects in MXene exhibit high catalytic activity for hydrogen evolution reaction, while N-doped graphene-passivated MXene outperforms the pristine counterpart for charge storage. Our calculations suggest that defect-containing M/G is a suitable material for electrochemical energy conversion and storage applications.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Engineering, Environmental
Yujian Dang, Xu Li, Zekun Chen, Bo Ma, Xudong Zhao, Yantao Chen
Summary: This study demonstrates the significance of constructing hierarchical CoO@MoN heterostructure nanowire arrays to enhance the performance of electrocatalysts for hydrogen evolution. The experimental results show that CoO@MoN exhibits excellent activity in alkaline medium, and theoretical computations confirm the advantages of this heterostructure.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Jiayi Chen, Xu Li, Bo Ma, Xudong Zhao, Yantao Chen
Summary: The inferior performance of non-precious metals in electrocatalytic hydrogen evolution is mainly due to the improper adsorption strength of intermediates. A core-shell heterostructure of CoP@Ni with metallic Ni supported by CoP nanowire array is developed, and it exhibits superior activity in hydrogen evolution. The electronic structure of CoP@Ni is tuned to modulate the adsorption strength of intermediates, leading to enhanced charge transfer and lower energy barrier in the reaction pathway.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Yuan Tan, Yucheng Zhu, Xiaofei Cao, Yuhao Liu, Jiayuan Li, Zhong Chen, Jun Hu
Summary: This paper investigates the performance of hydrogen spillover-based binary catalysts under acidic conditions. By using material screening, 11 candidate catalysts with excellent hydrogen evolution reaction (HER) performance are found, and Pt1Ir1-MoS2 catalyst is successfully synthesized and verified to exhibit outstanding catalytic performance. The study reveals the key role of hydrogen spillover in efficient water splitting, providing a new paradigm for the discovery of widely applicable materials.
Article
Engineering, Environmental
Sundaram Chandrasekaran, Na Li, Yang Zhuang, Lijun Sui, Zhizhong Xiao, Dayong Fan, Vanchiappan Aravindan, Chris Bowen, Huidan Lu, Yongping Liu
Summary: The construction of heterostructures based on non-precious metals with platinum-like performance in the hydrogen evolution reaction (HER) is a challenge in hydrogen fuel technology. In this study, heterostructured M-N-Ni9S8/Nb2O5 (M = Co, Fe, or Cu) catalysts were successfully fabricated using spatially separated Ni9S8 nanosheets/Nb2O5 nanobelts coupled with nitrogen (N) and metal atoms. The Co-N-Ni9S8/Nb2O5 heterostructure achieved a low acidic overpotential of-171 mV at-10 mA cm(-2) and outperformed existing heterostructures due to its improved intrinsic activity, interface-rich structure, abundant active sites, and large surface area. The Cu-N-Ni9S8/Nb2O5 heterostructure required a low alkaline overpotential of-109 mV at-10 mA cm(-2), approaching the performance of Pt/C catalyst. Density functional theory (DFT) predictions showed that the local charge distribution and electronic properties at the heterointerface of Ni9S8/Nb2O5 can be modulated by co-doping of metals with N atoms, leading to optimal adsorption energy and reduced water dissociation barrier, thereby enhancing the acidic and alkaline HER activity. This work provides a new design principle for advanced heterostructured catalysts.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Nanoscience & Nanotechnology
Sathish Deshagani, Debanjan Maity, Aparajita Das, Melepurath Deepa
Summary: The study utilized a hierarchical heterostructure of NiMoO4PNiMnCo2O4 (Nmop NMCO) and PProDOT to construct a supercapacitor with high specific capacitance, cycle life, and energy density. Coupling the supercapacitor with an electrochromic device enabled efficient energy utilization and energy savings.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
Yuan-Yuan Feng, Gao Deng, Xiang-Yu Wang, Meng Zhu, Qing-Nan Bian, Ben-Shuai Guo
Summary: Efficient, stable, and low-cost nonprecious catalysts for oxygen and hydrogen evolution reactions (OER and HER) are desired for overall water splitting (OWS). The developed MoS2/NiFeS2/NF heterostructure catalyst exhibits superior catalytic activity and stability, achieving low overpotentials and high current densities for OER, HER, and OWS. This work is significant for the development of highly active and stable nonprecious electrocatalysts for industrial water electrolysis.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Olawale Olaoluwa Dada, Sina Karimzadeh, Patrick Ehi Imoisili, Tien-Chien Jen
Summary: A systematic computational investigation was conducted to explore the factors and mechanisms that determine the catalytic activity of molybdenum phosphide (MoP). The presence of phosphorus was found to enhance the intrinsic catalytic activity and proton adsorption kinetics of the (100) surface of MoP nanoparticles, making it highly suited for the hydrogen evolution reaction (HER) analogues to platinum. This study highlights the importance of phosphorizing and surface faceting in improving the catalytic performance of transition metals.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Energy & Fuels
Min Wei, Dandan Zhang, Lixia Wang, Xin Xiao, Shun Wang, Meirong Song, Shiju Zhao, Xiaoxia Wu
Summary: This study synthesized an optimized heterojunction catalyst with a core-shell structure and an amorphous-crystalline heterostructure, exhibiting excellent performance and long-term stability in water electrolysis.
Article
Chemistry, Physical
Yunyi Chen, Leying Qing, Tongtong Liu, Shuangliang Zhao, Yongsheng Han
Summary: By tuning the ions arrangement at the electrode-electrolyte interface, the energy density of supercapacitors can be improved. An appropriate interfacial ion distribution is beneficial to obtaining high capacitance, highlighting an unusual solution to improve the energy density of supercapacitors.
Article
Nanoscience & Nanotechnology
Subrata Karmakar, Saif Taqy, Ravi Droopad, Ravi Kumar Trivedi, Brahmananda Chakraborty, Ariful Haque
Summary: In this study, different Q-carbon structures were fabricated by varying the laser energy density during pulsed laser annealing, and these structures showed potential applications in electrochemical, magnetic, and energy storage devices. The Q-carbon microdots exhibited excellent electrochemical performance and stable magnetic properties, indicating their promise as high-performance supercapacitor electrodes.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Vikram Mahamiya, Alok Shukla, Brahmananda Chakraborty
Summary: Research shows that lithium decorated 2D carbon allotrope PAI-graphene exhibits ultrahigh reversible hydrogen uptake, exceeding the DOE demand. Lithium atoms interact with PAI-graphene by donating electrons and form stable adsorption states with hydrogen molecules.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Nanoscience & Nanotechnology
Tuhin Ghosh, Pratap Mane, Prasana Kumar Sahoo, Brahmananda Chakraborty, Debabrata Pradhan
Summary: Hybrid organometallic halide perovskite-based semitransparent solar cell research is gaining attention for its potential applications in various fields. The key challenges lie in improving stability and controlling crystalline qualities in perovskite thin films. This study presents in situ strain modulation and demonstrates the single-step deposition method of formamidiniumchloride (FACl)-mediated CH3NH3PbI3 (MAPbI3) thin films for semitransparent solar cells. The addition of FACl plays a critical role in controlling crystallinity, growth orientations, and in situ strains, improving the efficiency of the solar cell device.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Monidipa Pramanik, Mukta V. V. Limaye, Mahendra S. Pawar, Dattatray J. Late, Shashi B. Singh
Summary: In this study, vanadium carbide (V(2C)Tx) MXene was successfully synthesized and treated with an ammonia solution under different pressures using a hydrothermal process. The results show that the morphology of V(2)CTx MXene changed from uneven multilayered micrometre-size sheets to uniform few-layered nanometer-size sheets as the pressure increased. The optical and electronic properties were influenced by nitrogen-related defects, quantum confinement, and induced lattice strain due to the post-ammonia treatment.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Ravi Trivedi, Brinti Mondal, Nandini Garg, Brahmananda Chakraborty
Summary: This study explores the potential of biphenylene as a nanocarrier for the delivery of the anticancer drug cisplatin. It is found that biphenylene offers physical stability, rapid release rate, solubility, and bio-compatibilities compared to other nanocarriers. The adsorption of cisplatin on the surface of biphenylene involves charge transfer from cisplatin to biphenylene. The drug is shown to be released at body temperature in an acidic environment. Biphenylene also exhibits excellent cytotoxicity activity and cellular uptake of the drug. Overall, biphenylene shows promise as a potential nanocarrier for cisplatin delivery.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Chetan D. Mistari, Pratap Mane, Pankaj Koinkar, Brahmananda Chakraborty, Mahendra A. More
Summary: Janus MoSSe and MoSSe-MWCNTs composite were synthesized using a facile one pot hydrothermal route. The FEE behavior of the as-synthesized emitters was investigated, and the MoSSe-MWCNTs emitter showed enhanced FEE characteristics compared to the pristine Janus MoSSe and MWCNTs emitters. Computational analysis revealed the underlying physics facilitating the improvement in FEE behavior, and experimental validation confirmed an increase in carrier concentration. The results highlight the potential of Janus materials for various applications, including vacuum microelectronic devices.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Engineering, Electrical & Electronic
Prashant H. Shinde, Yogita Padwal, Yogesh Waghadkar, Hassan Fouad, Chiaki Terashima, Ratna Chauhan, Shrikant Charhate, Muthupandian Ashokkumar, Suresh W. Gosavi, Dattatray J. Late
Summary: We have successfully synthesized ZnS-MoS2 nano-heterostructure via hydrothermal method and studied its photocatalytic activity under sunlight. The nano-heterostructure exhibited efficient charge separation and extended light absorption, leading to the generation of electron-hole pairs for the degradation of MB dye molecules. The optimized ZnS-MoS2 sample synthesized at 48 h showed excellent performance with 97% degradation in 30 min, attributed to enhanced crystallinity, good charge carrier ability, optimal heterojunction formation, and well-defined morphology with reduced defects.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Chemistry, Physical
Vinod Kumar, Sree Raj Afreen, K. A. Sree Raj, Pratap Mane, Brahmananda Chakraborty, Chandra S. Rout, K. V. Adarsh
Summary: Nonlinear optical phenomena play a crucial role in understanding microscopic light-matter interactions and have significant potential in various fields. By studying charge-coupled donor-acceptor materials, we demonstrate that the VSe2-rGO hybrid exhibits enhanced ultrafast nonlinear optical properties, leading to the development of a high-performance optical limiter device.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Nanoscience & Nanotechnology
Seetha Lakshmy, Gopal Sanyal, Nandakumar Kalarikkal, Brahmananda Chakraborty
Summary: This study investigates the potential of BeN4 monolayer as a gas sensor for NH3 by analyzing its sensing capacity and adsorption energy, and concludes that the introduction of Be vacancy enhances NH3 adsorption due to improved charge transfer.
Article
Chemistry, Physical
Jiban K. Das, Nachiketa Sahu, Pratap Mane, Brahmananda Chakraborty, J. N. Behera
Summary: This study investigates a one-step hydrothermal synthesis of a phase-engineered nickel sulfide and nickel phosphide heterostructure with organized morphology, and demonstrates its enhanced catalytic activity for the hydrogen evolution reaction (HER). The theoretical simulation based on density functional theory (DFT) supports the experimental results and provides insight into the structural and electronic properties of the materials. The computed overpotential matches closely with the experimental data.
SUSTAINABLE ENERGY & FUELS
(2023)
Article
Chemistry, Physical
Mukesh Singh, Brahmananda Chakraborty
Summary: With the help of state-of-the-art density functional theory and ab initio molecular dynamics, a recently synthesized 2D biphenylene sheet analog in BN was explored. Its dynamical, thermal, and mechanical stability, as well as synthesis feasibility, have been confirmed. Analysis of its electronic, mechanical, optical, and vibration properties suggests that BN-BPh could be useful in electronic, optical, and spintronics devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Review
Energy & Fuels
Gopal Sanyal, Brinti Mondal, Chandra Sekhar Rout, Brahmananda Chakraborty
Summary: Transition metal oxides with two different cations in the same crystal structure are considered superior catalysts due to the synergistic effects and increased active site availability. Molybdate-based compounds, particularly nanostructured nickel molybdate (NiMoO4), have significant industrial importance in catalysis, supercapacitance, nuclear medicine, and calorimetry. Engineering NiMoO4 at different scales has greatly enhanced its catalytic performance through improved redox reaction kinetics. This review provides a comprehensive perspective on the developments, synthesis routes, and tunability of NiMoO4 for targeted applications.
Article
Chemistry, Multidisciplinary
Rajib Samanta, Biplab Kumar Manna, Ravi Trivedi, Brahmananda Chakraborty, Sudip Barman
Summary: In this study, a new catalyst was developed to improve the hydrogen oxidation/evolution reaction (HOR/HER) activity by enhancing hydrogen spillover from platinum to molybdenum trioxide sites. The experimental results indicated that the hydrogen binding energy is a key descriptor for the reaction. These findings provide valuable insights for the development of hydrogen-spillover-based electrocatalysts.