Article
Chemistry, Physical
Aqeel Alrebh, Jean-Luc Meunier
Summary: Band gap-controlled two-dimensional boron carbon nitride nanosheets were synthesized using a thermal plasma-based process, with the ability to control the band gap achieved by manipulating the carbon content. The nanosheets exhibited non-uniform layer stacking and dislocation-type defects, with a quasi-uniform distribution of B/N/C. The optical band gap increased as the carbon content decreased.
Article
Chemistry, Physical
Min Zhou, Shanrong Li, Sibo Wang, Zhifeng Jiang, Can Yang, Fangsong Guo, Xinchen Wang, Wing-kei Ho
Summary: Ultrathin boron carbon nitride (BCN) nanosheets, as a fascinating candidate for advanced photocatalysis, have limitations in catalytic efficiency due to slow kinetics of surface/interfacial photoexcitation charges and visible photons absorption. A hierarchically layered heterostructure BCN-ZnIn2S4 is designed and constructed to accelerate charge separation/mobility and provide more active sites. The optimized BCN-ZnIn2S4 composite shows significantly enhanced photo-redox efficiency under visible light.
APPLIED SURFACE SCIENCE
(2022)
Article
Energy & Fuels
Fatma Nur Tuzluca Yesilbag, Yasar Ozkan Yesilbag, Ahmad Huseyin, Ahmed Jalal Salih Salih, Mehmet Ertugrul
Summary: Optimizing interlayer spacing of 2D MXene is important for synthesizing 3D composite electrodes for energy storage. In this study, flexible and conductive MXene/BCN nanotube composite film electrodes were prepared, with a specific capacitance of 678 F g-1 and excellent cycle stability. The composite electrodes made of 2D MXene and 1D BCN nanotubes open up a new avenue for energy storage materials.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Multidisciplinary
Ya Feng, Henan Li, Taiki Inoue, Shohei Chiashi, Slava Rotkin, Rong Xiang, Shigeo Maruyama
Summary: The synthesis of one-dimensional van der Waals heterostructures enables new possibilities in electronics and optoelectronics, with different electrical characteristics induced by natural doping in semiconducting single-walled carbon nanotubes and molybdenum disulfide. Assembling semiconducting single-walled carbon nanotubes, insulating boron nitride nanotubes, and semiconducting molybdenum disulfide nanotubes creates a radial semiconductor-insulator-semiconductor heterojunction. Application of opposite potential polarity on these nanotubes leads to a rectifying effect.
Article
Chemistry, Multidisciplinary
Yangchao Lu, Jige Chen
Summary: The paper utilizes an electric field to create an artificial water channel by molecular dynamics simulations, facilitating the diffusion process of water molecules between two disjoint nanotubes and achieving a significant enhancement of diffusion coefficients.
Article
Materials Science, Composites
Jianzheng Cui, Fanlin Zeng, Bin Yuan
Summary: The reinforcing effect of carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs) on the interfacial characteristics and tensile behaviors of natural rubber (NR) composites were investigated using molecular dynamics simulations. Results showed that the incorporation of BNNTs achieved higher improvements in interfacial frictional force and shear strength compared to CNTs. Additionally, both CNTs and BNNTs significantly increased the mechanical properties of the NR composites.
POLYMER COMPOSITES
(2022)
Article
Nanoscience & Nanotechnology
Ling Li, Ningqiang Shi, Xiangqian Jiang, Weiping Chen, Chuncheng Ban, Jiandong Hao
Summary: This study focuses on the synthesis of high-quality bismuth telluride (Bi2Te3) nanowires and boron nitride nanotubes (BNNTs), as well as the preparation of Bi2Te3-BNNTs and Bi2Te3-BCNNTs composite films. The obtained composite films exhibit high electrical conductivity, good flexibility, and thermal stability. They show great potential for application in thermoelectric conversion.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Md Ariful Ahsan, Tianwei He, Kamel Eid, Aboubakr M. Abdullah, Michael L. Curry, Aijun Du, Alain R. Puente Santiago, Luis Echegoyen, Juan C. Noveron
Summary: The development of OD-2D heterostructures composed of BCN NSs and C-60/F has led to the synthesis of supramolecular materials with multifunctional electrocatalytic properties for various reactions. By optimizing the intermolecular electron transfer, a nanohybrid material with 10% F in BCN NSs showed enhanced catalytic activity surpassing commercial RuO2 catalysts. The 10% F/BCN catalyst exhibited the highest tetrafunctional catalytic performance, achieving a cell potential of 1.61 V for water splitting at a current density of 10 mA cm(-)(2).
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Materials Science, Multidisciplinary
Lingyun Sun
Summary: In this study, the band gaps of different stacking patterns of bilayer hexagonal boron nitrides (h-BNs) were regulated by changing the doping positions of carbon atoms. The AA1 stacking pattern of h-BN was found to have the largest band gap. Among the different doping configurations, the opposite doping model showed the largest decline in band gap. The research also revealed that doping carbon atoms shifted the bilayer h-BN from an insulating state to a semiconductor state, and this change was mainly due to charge transfer between atoms.
RESULTS IN PHYSICS
(2023)
Article
Physics, Applied
John L. Lyons, Darshana Wickramaratne, Chris G. Van de Walle
Summary: Controlling electrical conductivity of gallium nitride through impurity doping is a significant achievement in semiconductor science, but challenges remain due to unwanted contaminants and point defects limiting device performance. Methodological advancements have made first-principles calculations more powerful for quantitative predictions, emphasizing the need for cautious comparison between theory and experiment. This tutorial explains basic concepts of dopants, unintentional impurities, and point defects in GaN, and discusses the interpretation of experimental results in the context of theoretical calculations.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Environmental Sciences
Zixuan Xu, Yong Guo, Lu Chen, Congcong Yan, Ying Guo, Guowei Xu
Summary: By using different forms of materials, metal-free photocatalysts were synthesized and their photodegradation performance difference was clarified. The BCQD showed good fluorescence and up-conversion fluorescence performance. BCN/BCQD-350 exhibited the highest removal efficiency for TC, conforming to the pseudo-second-order kinetic and Langmuir isotherm models. The photoactive species capture experiments revealed the contributions of different species to TC photodegradation, with .O-2(-) playing the largest role. The TC photodegradation by BCN/BCQD-350 started with the dehydration step and had a higher removal rate compared to other materials.
Article
Chemistry, Physical
Changping Yu, Lili Zhang, Gang Zhou, Feng Zhang, Zichu Zhang, Anping Wu, Pengxiang Hou, Huiming Cheng, Chang Liu
Summary: Carbon nanotube-based derivatives with unique structure and physicochemical properties have been extensively researched. However, the controlled growth mechanism and synthesis efficiency of these derivatives are still unclear. In this study, a defect-induced strategy was proposed for the efficient heteroepitaxial growth of SWCNTs@h-BN films. Air plasma treatment was used to generate defects on the SWCNTs' wall, and atmospheric pressure chemical vapor deposition was performed to grow h-BN on the SWCNTs' surface. Controlled experiments and first-principles calculations revealed that the induced defects on the SWCNTs' wall serve as nucleation sites for efficient heteroepitaxial growth of h-BN.
Article
Chemistry, Physical
Keng Chen, Huazhang Guo, Jiye Zhang, Liang Wang, Minghong Wu
Summary: This work focuses on the development of a highly efficient photocatalyst for clean hydrogen production. The metal-free 2D/2D boron/g-C3N4 nanosheet heterojunction (B-CN) was designed and synthesized, which showed a hydrogen generation rate 35 times higher than g-C3N4. The tight heterojunction architecture allows for enhanced light absorption, increased carrier concentration, and efficient charge transfer, leading to improved photocatalytic activity.
ACS APPLIED ENERGY MATERIALS
(2022)
Review
Chemistry, Multidisciplinary
Zhiqiang Zheng, Yurui Xue, Yuliang Li
Summary: This review systematically summarizes the new progress in Graphdiyne (GDY), highlighting its applications in energy, catalysis, and photoelectric devices, and discussing the potential advantages and challenges in this field.
TRENDS IN CHEMISTRY
(2022)
Article
Green & Sustainable Science & Technology
Alok Tripathi, Chaudhery Mustansar Hussain
Summary: The structural transformation of graphitic carbon nitride (g-C3N4) using Zinc Aluminium layered double hydroxide (ZnAl-LDH) and boron impregnation has shown improved visible light absorption and enhanced efficiency in degrading phenol. This study may open new dimensions for the sustainable use of solar energy in environmental applications.
SUSTAINABLE MATERIALS AND TECHNOLOGIES
(2021)
Article
Chemistry, Physical
Yuhan Tang, Yong Men, Shuang Liu, Jinguo Wang, Kang Wang, Yingying Li, Wei An
Summary: The morphology of MnOx support significantly affects the performance of Ru catalysts in CO2 methanation, with hexagonal nanoplates of Mn3O4 enhancing productivity and selectivity. The support morphology plays a crucial role in catalytic performance during methanation process.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Energy & Fuels
Kang Wang, Yong Men, Shuang Liu, Jinguo Wang, Yingying Li, Yuhan Tang, Zhuping Li, Wei An, Xiaoli Pan, Lin Li
Summary: This study investigates the effect of nickel particle size on CO2 methanation and demonstrates that small nickel nanoparticles supported on SiO2 can significantly enhance catalytic performance. In situ DRIFTS results suggest that small Ni particles favor the formation of key intermediates and thus promote the CO2 methanation reaction. These findings provide valuable insights for designing effective CO2 methanation catalysts by tuning the size of Ni nanoparticles.
Article
Chemistry, Multidisciplinary
Miaomiao He, Wei An, Yuanqiang Wang, Yong Men, Shuang Liu
Summary: This study investigates the application of double-atom catalysts in CO2 reduction and demonstrates that hybrid M-B dual-atom centers can outperform single or double-M centers. Fe@B-C2N is predicted as a promising catalyst for the development of C2+ products.
Article
Chemistry, Multidisciplinary
Kaiming Jiang, Yong Men, Shuang Liu, Jinguo Wang, Wei An, Hongyan Yu, Eun Woo Shin
Summary: A stable and effective Co modified NiTiO3 catalyst was designed and developed, exhibiting high CO2 conversion rate and methane selectivity, with 16 hours of continuous operation without significant deactivation at 350 degrees C.
JOURNAL OF CO2 UTILIZATION
(2021)
Article
Chemistry, Physical
Mengru Yang, Yuanqiang Wang, Yanfang Gu, Zhili Xue, Junhui Shi, Wei An, Yichuan Rui
Summary: This study reports a novel construction strategy of thin-leaf-shaped cobalt phosphide combined with copper nanoclusters supported on nickel foam, which exhibits good performance in electrocatalytic water-splitting. The interface-engineered nanocomposite shows enhanced electrochemical characteristics with a large number of active sites and low charge-transfer resistance. The proposed electrode demonstrates good stability and lower overpotential, providing a new perspective for the engineering of non-noble metals in metal phosphides.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Nanoscience & Nanotechnology
Jin Zhang, Cong Fang, Yang Li, Wei An
Summary: This article presents a DFT study of electrocatalytic nitrogen reduction on W-4 tetrahedron embedded in graphene-like C2N. The results demonstrate that the N-affinity of active sites on W-4 dominates over single-atom site, making the formation of *NH3 the potential-determining step of eNRR. Additionally, W-4@C2N shows potential as a catalyst for hydrazine production and exhibits sufficient stability and electrical properties for electrode application.
Article
Chemistry, Physical
Zhuping Li, Yong Men, Shuang Liu, Jinguo Wang, Keye Qin, Dandan Tian, Tianle Shi, Li Zhang, Wei An
Summary: The crystalline phases of support play a crucial role in the catalytic performance of heterogeneous catalysts. In this study, a series of Pd/In2O3/ZrO2 catalysts with different crystalline phases of ZrO2 were prepared and evaluated for CO2 hydrogenation to CH3OH. The results showed that the catalyst supported on mixed monoclinic and tetragonal phases ZrO2 exhibited superior reactivity compared to catalysts supported on single monoclinic or tetragonal ZrO2. The superior activity of the Pd/In2O3/Mix-ZrO2 catalyst could be attributed to its larger Pd particle size, higher concentration of oxygen vacancies, and abundant medium basic sites, which facilitated the activation of H-2 and inert CO2. The best-performing catalyst showed high stability and remarkable space time yield of methanol synthesis from CO2 hydrogenation.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Tianle Shi, Yong Men, Shuang Liu, Jinguo Wang, Zhuping Li, Keye Qin, Dandan Tian, Wei An, Xiaoli Pan, Lin Li
Summary: This study successfully introduced highly dispersed Pt2+ species into three different morphologies of In2O3 supports, and found that the exposed crystal facets greatly affect the dispersion of active Pt2+ species and the number of oxygen vacancies, which closely correlates with the catalytic performance. Pt/In2O3 primarily exposed (211) facet showed higher catalytic activity.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Chemistry, Physical
Fang Xu, Wei An, Ashleigh E. Baber, David C. Grinter, Sanjaya D. Senanayake, Michael G. White, Ping Liu, Dario J. Stacchiola
Summary: Understanding the dynamic processes of hydrogen interaction with oxides is crucial in catalysis. This study investigated the reduction of Cu2O-29 surfaces by hydrogen at room temperature, observing that reduction occurs preferentially at step edges and defects, with the rate depending on nearby Cu step edges. A proposed mechanism involves free copper atoms from ascending metallic step edges facilitating H2 dissociation and transfer to Cu2O regions.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Yang Li, Wei An
Summary: Structural modulation of the active site with atomic-level precision is crucial for electrocatalysts to overcome activity and selectivity challenges. This study explores the electrocatalytic N-2 reduction reaction using a metal-nonmetal diatomic site embedded in graphene-like C2N. The Mo-B site exhibits a pronounced synergistic effect and a novel quasi-dissociative reaction mechanism, demonstrating superior performance over conventional mechanisms.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Wangwang Liu, Yong Men, Fei Ji, Feng Shi, Jinguo Wang, Shuang Liu, Tamerlan T. T. Magkoev, Wei An
Summary: Three types of a-Mn2O3 catalysts with different morphologies were prepared and evaluated for ethanol total oxidation. The a-Mn2O3-cubic catalyst showed a higher reaction rate than the other two types under high space velocity. The morphology-dependent reactivity was found to be correlated with low-temperature reducibility, surface Mn4+ abundance, and adsorbed reactive oxygen species.
Article
Engineering, Chemical
Chao Song, Yangang Sun, Li Zhang, Shuang Liu, Jinguo Wang, Wei An, Yong Men, Zhenrong Yan
Summary: This study successfully converted CO2 into CO through photoreduction using NaOH-modified Bi2WO6 photocatalysts. Adding an appropriate amount of NaOH significantly improved the photoreduction activity, and tuning the band structure enhanced the efficiency of the photocatalysts. The modified photocatalysts exhibited excellent reduction performance in experiments.
Article
Chemistry, Physical
Dandan Tian, Yong Men, Shuang Liu, Jinguo Wang, Zhuping Li, Keye Qin, Tianle Shi, Wei An
Summary: The design of bifunctional tandem catalysts combining oxide and zeolite has shown great potential in enhancing the selectivity and yield of CO2 conversion. However, the effect of crystalline structural of oxides has not been well studied. In this study, ZnO/ZrO2 catalysts with different crystalline phases modulated by Li doping were used to convert CO2 to light olefins. The transformation of ZrO2 crystalline phase in the catalyst significantly improved the CO2 conversion and yield of light olefins. The best-performing catalyst exhibited a high CO2 conversion and selectivity for light olefins, and good stability under reaction conditions. The enhanced catalytic performance was attributed to the interaction between the mixed crystal phase of Li-ZrO2 and ZnO, which provided oxygen vacancies for CO2 activation. The results highlight the importance of controlling the crystal phase of the oxide support in designing efficient CO2 conversion catalysts.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Correction
Chemistry, Physical
Jin Zhang, Wei An
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Jin Zhang, Wei An
Summary: In this study, electrocatalytic nitrogen reduction reaction (eNRR) on graphene-like C2N supported M-n (M = Fe, Co, Ni, Cr, Mo, and W; n = 1, 2, 3) catalysts was systematically explored using density functional theory and computational hydrogen electrode method. The results showed that M-2@C2N is the optimal candidate for driving eNRR due to its moderate binding with NHx intermediates. Moreover, the N-affinity of active sites can be enhanced by increasing the size of the catalyst ensemble.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
