Article
Chemistry, Multidisciplinary
Mengjun Wang, Xu Dong, Zhaodong Meng, Zhiwei Hu, Yan-Gu Lin, Chun-Kuo Peng, Hongshuai Wang, Chih-Wen Pao, Songyuan Ding, Youyong Li, Qi Shao, Xiaoqing Huang
Summary: A new liquid-liquid interfacial synthesis method was developed for the efficient fabrication of two-dimensional Ni metal-organic framework nanosheets, allowing for the modulation of active sites and achieving optimal electrocatalytic performance.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Ying Wang, Hongcen Yang, Niandi Lu, Di Wang, Kun Zhu, Zhixia Wang, Lianshan Mou, Yan Zhang, Yawei Zhao, Kun Tao, Fei Ma, Shanglong Peng
Summary: In this study, bimetallic doping was used to prepare 2D porous nanosheets with high selectivity for oxygen reduction reaction. The introduced metals improved the stability of hydrogen peroxide and provided a new research idea for its preparation.
Article
Chemistry, Inorganic & Nuclear
Yingchun Zhang, Changsheng Cao, Xin-Tao Wu, Qi-Long Zhu
Summary: The Cu-decorated Bi/Bi2O3 nanofoam shows excellent electrocatalytic performance in CO2RR with high Faradaic efficiency and long-term stability, achieved through the regulation of microstructure and electronic states by the introduction of Cu.
INORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Multidisciplinary
Fang Wang, Yang Xu, Yanzhi Wang, Zuozhong Liang, Ru Zhang, Yaru Wang, Hang Zhang, Wei Zhang, Rui Cao, Haoquan Zheng
Summary: By using a space-confined strategy to control pyrolysis, a thin SiO2 layer is utilized to prevent destruction of the 2D morphology and expose more active sites, resulting in high ORR and Zn-air battery performance of the obtained NiCo-NC material.
CHEMICAL COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Yaser Abdi, Ali Mazaheri, Soheil Hajibaba, Sara Darbari, Seyed Javad Rezvani, Andrea Di Cicco, Francesco Paparoni, Reza Rahighi, Somayeh Gholipour, Alimorad Rashidi, Mahdi Malekshahi Byranvand, Michael Saliba
Summary: This study introduces a new two-dimensional borophene-based supercapacitor that is produced using a chemical vapor deposition method. The results show that this supercapacitor has a high specific capacity and outperforms previous boron-based supercapacitors as well as other two-dimensional materials in terms of electrochemical performance.
ACS MATERIALS LETTERS
(2022)
Article
Chemistry, Physical
Ying Chang, Junxiang Chen, Jingchun Jia, Xiang Hu, Huijuan Yang, Meilin Jia, Zhenhai Wen
Summary: The study demonstrates the scalable salt-templated synthesis of two-dimensional porous fluorine-doped carbon nanosheets, with fluoride doping and defects providing a richer density of active sites. Both F doping and defects play important roles in efficient ORR electrocatalysis, with FC structures beneficial to ORR activity.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2021)
Article
Chemistry, Applied
Linlin Wang, Xin Li, Leiduan Hao, Song Hong, Alex W. Robertson, Zhenyu Sun
Summary: To facilitate the electrochemical reduction of CO2 to fuels and valuable chemicals, the development of active, low-cost, and selective catalysts is crucial. In this study, a novel catalyst consisting of CuO nanoparticles anchored on Cu-MOF nanosheets was reported. The catalyst exhibited efficient CO2 conversion to ethylene with high faradaic efficiency and demonstrated stability and high power conversion efficiency. The excellent electrocatalytic performance was attributed to the interface between CuO and Cu-MOF and the unique structure of Cu-MOF.
CHINESE JOURNAL OF CATALYSIS
(2022)
Article
Chemistry, Multidisciplinary
Byoungjoon Park, Ying Wang, Yechan Lee, Kyung-jong Noh, Ara Cho, Myeong Con Jang, Rui Huang, Kug-Seung Lee, Jeong Woo Han
Summary: Using density functional theory calculation, three promising high-efficiency metal-nitrogen-doped (M-N-C) electrocatalysts for CO2 electrochemical reduction were identified and tested, providing insights for the rational design of heterogeneous CO2RR electrocatalysts.
Article
Chemistry, Multidisciplinary
Saudagar Dongare, Neetu Singh, Haripada Bhunia
Summary: Increasing atmospheric CO2 has negative effects on global climate, prompting interest in utilizing CO2 for value-added products. A nanostructured electrocatalyst of Cu NPs supported on NGN was optimized for high ECR activity. The study showed that Cu-20/NGN exhibited the highest catalytic activity among all tested electrocatalysts, with improved electrode properties and performance validated through potential-controlled electrocatalysis.
JOURNAL OF CO2 UTILIZATION
(2021)
Article
Nanoscience & Nanotechnology
Lu Xu, Li-Ming Yang, Eric Ganz
Summary: The study investigates the use of a large class of metal atoms anchored onto borophene as single atom catalysts for ammonia synthesis, identifying four potential candidates with superior performance. Additionally, Mo@BM-beta(12) and Mn@BM-beta(12) demonstrated HER suppression, surpassing most current nitrogen reduction reaction electrocatalysts in terms of performance.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Yun Song, Peng Guo, Tinghao Ma, Jianjun Su, Libei Huang, Weihua Guo, Yong Liu, Geng Li, Yinger Xin, Qiang Zhang, Siwei Zhang, Hanchen Shen, Xing Feng, Dengtao Yang, Jia Tian, Sai Kishore Ravi, Ben Zhong Tang, Ruquan Ye
Summary: This study reports the development of ultrathin cationic cobalt-phthalocyanine-based covalent organic nanosheets (iminium-CONs) for efficient electrochemical CO2-to-CH3OH conversion. The iminium-CONs exhibit significantly enhanced selectivity and methanol partial current density.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Haoyan Zhang, Lin Cheng, Kai Li, Ying Wang, Wencheng Wang
Summary: In this study, the reaction mechanism of CO2 reduction on two-dimensional MOFs TM-PTC has been investigated using density functional method. The results showed that Mo-PTC exhibits the best catalytic activity for generating CH4. The presence of axial oxygen on TM-O-PTC leads to different catalytic behavior in CH4 production compared to those without axial oxygen. Nb-PTC, an initially inactive catalyst for CH4 generation, becomes active after modification with an axial oxygen ligand. Zn-PTC and Mn-PTC are promising catalysts for producing HCOOH. The solvent effect plays a critical role in both the reaction mechanism and catalytic activity.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Engineering, Environmental
Jiadong Li, Ming Zheng, Feng Wei, Changchang Dong, Ziyuan Xiu, Wei Mu, Xin Zhou, Yanan Ding, Xiaojun Han
Summary: This research demonstrates the effective modulation of the electronic structure of InVO4 nanosheets through Fe doping, which generates abundant oxygen vacancies and significantly enhances the electrochemical N-2 reduction performance with high selectivity.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Nan Li, Yueyu Tong, Hao Li, Liqun Wang, Feng Hou, Shi Xue Dou, Ji Liang
Summary: Boron-doped carbon nanosphere serves as a metal-free electrocatalyst that can activate N=N triple-bonds, suppress the HER, and achieve high NH3 yield rate and high Faradaic efficiency simultaneously.
Article
Materials Science, Multidisciplinary
Shenggao Wang, Boyang Li, Quanrong Deng, Yangwu Mao, Geming Wang, Yuan Gao
Summary: A series of three-dimensional nitrogen-doped carbon nanosheets with porous structures were successfully fabricated through high-pressure carbonization and high-temperature thermal treatment. The resulting PNCNs exhibited ultra-high specific surface area, unique 3D porous structure, abundant defects, and suitable nitrogen configuration, making them excellent oxygen reduction reaction (ORR) electrocatalysts. The optimized thermal treatment time allowed for the enhancement of the electrochemical performance of the PNCNs. This study provides a promising approach for the controllable construction of carbon-based materials with optimized ORR performance.
MATERIALS RESEARCH BULLETIN
(2023)
Article
Chemistry, Physical
B. B. Xiao, L. Yang, L. B. Yu, E. H. Song, Q. Jiang
APPLIED SURFACE SCIENCE
(2020)
Article
Chemistry, Physical
Yang Lei, Chen Fengxiang, Song Erhong, Yuan Zhifei, Xiao Beibei
Article
Chemistry, Multidisciplinary
Lei Yang, Li-Bing Yu, Shuai-Shuai Liu, Er-Hong Song, Yin-Dong Song, Bei-Bei Xiao
Article
Chemistry, Multidisciplinary
Jing Wu, Lei Yang, Xin Liu, Beibei Xiao, Zhimin Ao
Summary: In this study, the nitrogen reduction activity of transition metal decorated bismuthene TM@Bis was fully investigated using density functional theory calculations. It was found that W@Bis exhibited the highest efficiency, with the potential-determining step located at the last protonation step of *NH2 + H++ e- -> *NH3 via the distal mechanism, with a limiting potential (UL) of 0.26 V. Additionally, the dopants Re and Os showed promise as experimental synthesis candidates despite slightly higher UL values of 0.55 V for NRR. The candidates Ti, V, Nb, and Mo had relatively lower UL values of 0.35, 0.37, 0.41, and 0.43 V but may be affected by the side hydrogen evolution reaction. Interestingly, a volcano curve was established between UL and valence electrons of metal elements, with W located at the summit due to the underlying acceptance-back donation mechanism. Therefore, this work provides a fundamental understanding for the design of materials for nitrogen reduction electrocatalysis.
CHINESE CHEMICAL LETTERS
(2023)
Article
Chemistry, Physical
B. B. Xiao, Z. Zhang, L. B. Yu, Q. Y. Huang, J. Wu, E. H. Song, L. L. Wang
Summary: This study proposes a novel strategy for activity modulation in oxygen reduction electrocatalysis through constructing a heterojunction. Experimental results show that the B doped graphene can alleviate the poisoning effect and significantly improve the activity. The improvement is achieved through electron redistribution and vertical electron transfer mechanisms.
SURFACES AND INTERFACES
(2022)
Article
Chemistry, Physical
Jing Wu, Lei Yang, Xin Liu, Ze Zhang, Shanping Liu, Beibei Xiao
Summary: Considering the significance of ammonia in the chemical industry, there is a strong interest in designing effective catalysts for N-2-to-NH3 conversion. In this study, the electrocatalysis of graphene anchored with six-coordinated transition metal atoms for nitrogen fixation was investigated using density functional theory calculations. The analysis showed that the ZrN6 configuration displayed good activity for ammonia synthesis under an overpotential of 0.51 V. The presence of N-6 coordination increased electron accumulation on the NNHx intermediates, weakening the intermolecular N-N bond and reducing the thermodynamic barrier of the protonation process. This work provides insight into the interaction between transition metals and adjacent coordination in tuning reactivity.
Article
Nanoscience & Nanotechnology
Hao Hu, Peng Zhang, Bei-Bei Xiao, Jian-Li Mi
Summary: Designing and synthesizing high-efficiency and low-cost single-atom catalysts (SACs) as bifunctional electrocatalysts for ORR and OER is still a significant challenge. Theoretical insights into Sn-N4 embedded carbon nanotubes, graphene quantum dots, and graphene nanosheets were provided for the ORR/OER. Results showed that the adsorption strengths of O intermediates in Sn-N4-CNTs and Sn-N4-GQDs respond differently to substrate curvature due to the strain transfer induced by the protruding Sn atom. Sn-N4-CNTs with suitable curvature exhibited excellent ORR performance, while Sn-N4-GQDs with high curvature showed enhanced OER activity but reduced ORR activity.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Tongxin Yan, Meixia Xiao, Haiyang Song, Ying Lv, Zhao Li, Beibei Xiao
Summary: MXenes are promising electrode materials for energy storage due to their excellent properties, especially their surface terminal groups. This study used first-principles calculations to investigate the stability, electrochemical properties, and sodium storage capability of Nb2CT2 (T = O, S, Se, Cl or Br) systems. The results indicate that Nb2CS2 and Nb2CCl2, with good electronic conductivity, fast charge-discharge rates, low open circuit voltage, and high theoretical sodium storage capacity, are potential novel anode materials in sodium-ion batteries. Additionally, functionalizing with S and Cl can improve the Na ion accessibility through expanded interlayer spacing in Nb2CT2. These findings provide guidance for designing MXene-based anode materials in sodium-ion batteries.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Xiaobao Jiang, Hongchao Sheng, Beibei Xiao
Summary: Understanding the physical origin of materials at the mesoscale is crucial for the design and fabrication of multifunctional quantum devices. In this study, a simple model was proposed to describe the size dependence of Debye temperature of metallic nanocrystals. The model was validated by experimental and simulation results. Furthermore, it was found that the ratio of solid/liquid interface energy to surface stress determines the difference in size dependence of Debye temperature for different metal elements.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Fang Liu, Xianfei Chen, Yi Huang, Chaozhu Shu, Na Li, Beibei Xiao, Lianli Wang
Summary: Borophene, the lightest two-dimensional material, shows great potential as an anode material for sodium-ion batteries and potassium-ion batteries. However, its strong surface activity hinders its stability. In this study, a new two-dimensional boron phosphide material with rich boron components is discovered using a particle swarm optimization method. This material exhibits remarkable stability, high electronic conductivity and ionic conductivity, making it a promising candidate for energy storage applications. This study provides valuable insights into the functionalization and stabilization of borophene.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Hao Hu, Peng Zhang, Bei-Bei Xiao, Jian-Li Mi
Summary: This study systematically investigates the suitability of PM-N-4 moieties as active sites for the ORR and reveals the effect of OH* self-modification on ORR activity. The results show that Sn-N-4 and Pb-N-4 have potential ORR activity, while In-N-4-OH* exhibits significantly improved activity.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Jiajie Lu, Xiuli Hou, Beibei Xiao, Xuejian Xu, Jianli Mi, Peng Zhang
Summary: This study investigated the catalytic performance of transition metal-doped boron nanotubes for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) using density functional theory, revealing that the doped transition metal atoms play a crucial role in determining the catalytic activity. Rhodium-doped BNTs showed excellent OER activity, while cobalt-doped BNTs displayed great catalytic activity toward the HER, with favorable adsorption strengths of reaction intermediates contributing to their performance.
Article
Chemistry, Multidisciplinary
Shuang Wang, Beibei Xiao, Shijie Shen, Kai Song, Zhiping Lin, Zongpeng Wang, Yuchao Chen, Wenwu Zhong
Article
Chemistry, Physical
B. B. Xiao, H. Y. Liu, L. Yang, E. H. Song, X. B. Jiang, Q. Jiang
ACS APPLIED ENERGY MATERIALS
(2020)
