Article
Chemistry, Physical
S. Gayathri Devi, C. Preferencial Kala, D. John Thiruvadigal
Summary: Graphene nanoribbons can have their band gaps tuned by doping, and this study focuses on the effects of carbon-nitrogen-phosphorus doping on armchair graphene nanoribbons in a Z-shape.
SURFACES AND INTERFACES
(2023)
Article
Engineering, Environmental
Xiaofu Tang, Yan Liang, Shengjing Guan, Lichun Xu, Meiyu Zhu, Wenmin Guo, Lihua Zou, Changlong Sun, Fuzhou Chen
Summary: In this work, stable 1 T phase molybdenum disulfide (MoS2) was prepared using a hydrothermal method with boron nitride co-doping graphite nanosheets as substrates. The doping strategy changed the electron states in the graphite, resulting in electron redistribution and stabilization of 1 T MoS2. The prepared BNG-MoS2 exhibited excellent lithium storage performance, attributed to enhanced electron conductivity and lithium-ion migration.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Chang Liu, Xiangping Feng, Yutong Zhao, Huilin Fan, Runguo Zheng, Zhiyuan Wang, Hamidreza Arandiyan, Yuan Wang, Yanguo Liu, Hongyu Sun, Zongping Shao
Summary: This study reports the synthesis of novel S-doped MCS samples with abundant internal surfaces for potassium storage. The effect of different doping sites on potassium storage is systematically studied, and it is found that S doping between the carbon layers enhances potassium ion adsorption. The importance of element doping sites on ion adsorption and storage performance is confirmed, providing a new approach for designing high-performance electrodes for energy storage applications.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Nanoscience & Nanotechnology
Yue Mu, Xuefang Chen, Hai Ming, Songtong Zhang, Xiayu Zhu, Jingyi Qiu
Summary: Ni-rich layered oxide materials have high specific capacity, but poor cycling performance and rate performance. This study developed a gradient Zr element doping method to enhance the cycle stability and rate performance of the cathode, with better results when Zr content is abundant in the core.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Xu Wang, Lei Ren, Yali Wang, Ming Qiu, Zixiang Yang, Junyu Fang, Wei Xu, Dongbin Qiao, Kejun Zhang, Qinghua Zhang, Yang Hou, Zhizhen Ye, Jianguo Lu
Summary: The rate performance of the Na2FeP2O7@C system is significantly improved by the Ti-doping strategy. Ti-doped composites are prepared by the solid-state method. The Ti-doped sample displays redox platforms near 2 V, contributing to its capacity. Moreover, the Ti-doped sample enhances the rate performance of the raw material.
JOURNAL OF POWER SOURCES
(2023)
Article
Engineering, Multidisciplinary
Yanqin Xue, Xiaojing Bai, Yanyan Xu, Qing Yan, Min Zhu, Kai Zhu, Ke Ye, Jun Yan, Dianxue Cao, Guiling Wang
Summary: Efficient hydrogen evolution reaction (HER) electrocatalysts, consisting of ultra-small MoS2 nanosheets with 5% Ni doping grown on hollow carbon microtubes, have been developed. The vertically oriented Ni-doped MoS2 nanosheets provide more active sites for HER, promoting ions transport, while the hollow carbon microtube substrate accelerates electrons transport and hydrogen release.
COMPOSITES PART B-ENGINEERING
(2021)
Article
Chemistry, Physical
Fan Liu, Lei Li, Shuhong Xu, Jiabin Guo, Ying Ling, Yongyi Zhang, Wenbin Gong, Lei Wei, Chunlei Wang, Qichong Zhang, Qingwen Li
Summary: An effective strategy of cobalt-doped MoS2 nanosheets directly grown on carbon nanotube fibers was proposed to develop efficient cathodes for fiber-shaped aqueous zinc-ion batteries (FAZIBs). The introduction of cobalt-ion activates the transformation of MoS2 crystal structure and expands the interlayer spacing, resulting in remarkable capacity, high rate capability, and impressive durability.
ENERGY STORAGE MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Bin-Bin Fan, Hai-Ning Fan, Xiao-Hua Chen, Xuan-Wen Gao, Shanliang Chen, Qun-Li Tang, Wen-Bin Luo, Yida Deng, Ai-Ping Hu, Wenbin Hu
Summary: Exploring active materials with high rate capability and long lifespan for sodium ion batteries is crucial for clean energy storage. Optimizing electronic structure to enhance electronic conductivity and improving electrochemical performance for sodium storage. Using a hierarchical mesopore carbon matrix to prevent nano-sheet stacking and optimize electrode performance.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Bo Yin, Shuquan Liang, Dongdong Yu, Boshi Cheng, Ishioma L. Egun, Jiande Lin, Xuefang Xie, Hezhu Shao, Haiyong He, Anqiang Pan
Summary: This study reveals that the mechanism for improving the rate capability of carbonaceous anode through heteroatom doping is not as traditionally believed, which is to increase the diffusion-controlled capacity by expanding the interlayer spacing. Instead, it is found that doping has little impact on interlayer spacing in the bulk phase, but can significantly expand the spacing in the subsurface region when syngergized with tensile stress. This leads to improved accessibility of the subsurface region at high current densities, resulting in higher specific capacity and cycling stability for the electrodes.
ADVANCED MATERIALS
(2021)
Article
Engineering, Environmental
Bo Wang, Lin Gu, Fei Yuan, Di Zhang, Huilan Sun, Jian Wang, Qiujun Wang, Huan Wang, Zhaojin Li
Summary: This study investigates nitrogen-doped graphitic carbon materials as anodes for potassium-ion batteries. The researchers found that a high edge-N doping ratio increases active sites and promotes capacitive-controlled K-storage. They also discovered that the N-5 configuration has a significant effect on interlayer spacing. The resulting ENGC-850 electrode exhibits high capacity, excellent rate capability, and prolonged cycle lifespan.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Youchen Hao, Wen Liu, Qianyu Zhang, Xianyou Wang, Hong Yang, Liang Kou, Zhanyuan Tian, Le Shao, Hirbod Maleki Kheimeh Sari, Jingjing Wang, Hui Shan, Xifei Li
Summary: Introducing trace Bi-doping can improve the voltage decaying issue and enhance cyclability of Li-rich Mn-based oxide cathodes. However, the poor rate capability of LMO is still influenced by the Li2MnO3 phase, restricting its performance.
Article
Chemistry, Physical
Xiaopei Zhu, Han Yu, Lina Cheng, Feifei Xu, Zilu Wang, Li-Zhen Fan
Summary: By introducing Pr3+ into single-crystal LiNi0.5Mn0.3Co0.2O2, the Li+ conductivity and structural stability can be enhanced, improving its rate capability. The Li(Ni0.5Mn0.3Co0.2)0.996Pr0.004O2 cathode with 0.4% Pr doping exhibits good cycling stability and capacity retention.
JOURNAL OF MATERIOMICS
(2023)
Article
Nanoscience & Nanotechnology
Jian Zhang, Yi Zhu, Mike Tebyetekerwa, Delong Li, Dan Liu, Weiwei Lei, Lifeng Wang, Yupeng Zhang, Yuerui Lu
Summary: Substitutional doping of monolayer transition metal dichalcogenides (TMDs) with vanadium has been successfully achieved, resulting in significant enhancement of photoluminescence (PL) intensity and dominance of exciton recombination over trion recombination. Controllable vanadium doping allows for tuning of optical bandgap of MoS2 and threshold voltage of field-effect transistors (FETs). This study demonstrates the potential for applications in optoelectronics by preparing Mo-based monolayer TMDs with controllable vanadium doping.
ACS APPLIED NANO MATERIALS
(2021)
Article
Chemistry, Physical
Dae-Yeong Kim, Oi Lun Li, Jun Kang
Summary: This study develops nanoscale nitrogen-doped carbon material (NNCM) to optimize the performance of sodium ion batteries (SIBs), achieving good capacity retention, cycling stability, and rate capability.
JOURNAL OF POWER SOURCES
(2021)
Article
Chemistry, Physical
Yaping Miao, Hongwei Bao, Wei Fan, Yan Li, Fei Ma
Summary: The study reveals that N doping has a significant impact on the adsorption behaviors of atoms and gas molecules on MoS2 monolayer, such as enhancing the adsorption sensitivity of NH3 and NO2 molecules and improving the adsorption energy. Additionally, it is found that N doping effectively reduces the migration barrier of NO2 gas molecules on MoS2.
SURFACES AND INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Liyang Zhang, Yujie Zheng, Jiacheng Wang, Yang Geng, Ben Zhang, Junjie He, Junmin Xue, Thomas Frauenheim, Meng Li
Summary: This study presents a novel assembly of cobalt-doped interface- and defect-rich MoS2/Ni3S2 hetero-nanosheet anchoring on a hierarchical carbon framework for alkaline HER by directly vulcanizing NiMoO4 nanosheets. The resulting hierarchical electrode shows excellent performance with low overpotential and small Tafel slope in alkaline solution, indicating a potentially feasible strategy for the design of heterostructure-based electrocatalysts.
Article
Chemistry, Multidisciplinary
Junjie He, Shuo Li, Arkamita Bandyopadhyay, Thomas Frauenheim
Summary: This study utilized real-time density functional theory to investigate the photoinduced interlayer spin transfer dynamics in two-dimensional nonmagnetic-ferromagnetic van der Waals heterostructures, leading to the observation of significant spin injection induced by laser pulses. Additionally, an atom-mediated spin transfer pathway was identified, shedding light on the microscopic understanding of optically controlling interlayer spin dynamics in 2D magnetic heterostructures.
Article
Nanoscience & Nanotechnology
Dongzhe Li, Thomas Frauenheim, Junjie He
Summary: By utilizing 2D intrinsic ferromagnets Fe3GeTe2 to create single-molecule junctions, perfect spin filtering and high magnetoresistance can be achieved. In experiments, the conductance of BDT junctions is more than 10 times larger than that of benzene junctions, with the key mechanism being determined by the intrinsic properties of Fe3GeTe2 electrodes.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Nanoscience & Nanotechnology
Yungang Zhou, Liujiang Zhou, Junjie He
Summary: Two new 2D Janus semiconductor photocatalysts, Nb3SBr7 and Ta3SBr7 bilayers, have been discovered with intrinsic charge separations, strong absorptions, and ultrahigh STH efficiencies, showing promise for water splitting applications.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Engineering, Environmental
Kaptan Rajput, Junjie He, Thomas Frauenheim, Debesh R. Roy
Summary: This article investigates the potential of monolayer PC3 compound as a sensor material for environmentally toxic nitrogen-containing gases, such as NH3, NO, and NO2, using density functional theory and molecular dynamics simulations. The findings reveal significant adsorption energies and short recovery times for PC3 monolayer with these gases at the molecular level.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Physical
Junjie He, Shuo Li, Liujiang Zhou, Thomas Frauenheim
Summary: This study demonstrates the ultrafast optical control of magnetism in two-dimensional magnets through real-time time-dependent density functional theory. The results provide insights into light-induced interlayer spin and charge dynamics, which could impact magnetic storage technology and spintronics.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Qiao-qiao Li, Luo Yan, Weibin Chu, Junjie He, Huanbo Luo, Thomas Frauenheim, Sergei Tretiak, Liujiang Zhou
Summary: Transition-metal perovskite chalcogenides (TMPCs) have shown great potential as lead-free alternatives to lead-halide perovskites for optoelectronic applications. In this study, the effects of Ti- and Se-alloying strategies on polaron behavior and carrier lifetimes in nonradiative recombination were systematically investigated. The results reveal that Ti alloying leads to the formation of localized small polarons, while Se alloying generates large polarons. Additionally, Se-alloying prolongs the nonradiative electron-hole recombination lifetime by up to 60% compared to pristine BaZrS3 material.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Shuo Li, Liujiang Zhou, Thomas Frauenheim, Junjie He
Summary: This study investigates optically induced interlayer spin transfer dynamics in 2D magnetic heterostructures using FM MnS2 and AFM MXenes as prototypes. The results demonstrate that laser pulses can induce a transient FM state in semiconducting AFM-FM heterostructures, leading to spin injection and transfer. This research provides a new approach to manipulate magnetic order in 2D materials.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Luo Yan, Jiaojiao Zhu, Bao-Tian Wang, Junjie He, Hai-Zhi Song, Weibin Chu, Sergei Tretiak, Liujiang Zhou
Summary: The study reports the discovery of two-dimensional transition metal oxide materials beyond the MXene family, which exhibit superconducting, semiconducting, and light-harvesting properties. This expands the understanding of emerging phenomena in this field and provides a new platform for optoelectronic and photovoltaic applications.
Article
Electrochemistry
Shuang Zhao, Yujie Zheng, Jiacheng Wang, Guang Han, Junjie He, Yu Chen, Chaohe Xu, Thomas Frauenheim, Meng Li
Summary: Conversion-type transition metal oxides (TMOs) anodes have high theoretical capacities, but their potential is not fully exploited due to slow reaction kinetics and unfavorable thermodynamics. This study demonstrates that pre-intercalating K+ ions in MoO2 crystal can improve the efficiency and capacity of conversion reactions.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Multidisciplinary
Zhaobo Zhou, Junjie He, Thomas Frauenheim, Oleg V. Prezhdo, Jinlan Wang
Summary: This study reveals the impact of vacancy and interstitial defects on the hot carrier cooling dynamics in lead halide perovskites. It explains why hot electrons can store more energy than hot holes during the cooling process. The study also uncovers the harmful effect of oxygen molecules on hot electron cooling and suggests a new strategy for designing high-efficiency hot carrier photovoltaic devices.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Editorial Material
Materials Science, Multidisciplinary
Guangzhao Wang, Junjie He, Xiaotian Wang, Zhaofu Zhang, Yee Sin Ang
FRONTIERS IN MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Zhaobo Zhou, Zhenfa Zheng, Junjie He, Jinlan Wang, Oleg V. Prezhdo, Thomas Frauenheim
Summary: In this study, the laser-induced spin electron excitation and relaxation dynamics processes of CrCl3/CrBr3 heterostructures with antiparallel and parallel systems were explored. The overall magnetic order of the heterostructure remains unchanged due to the laser-induced equivalent interlayer spin electron excitation. Moreover, the interlayer magnetic order switches from antiferromagnetic to ferrimagnetic in the antiparallel system once the laser pulse disappears. The microscopic mechanism underlying this magnetization switching is dominated by asymmetrical interlayer charge transfer combined with a spin-flip.
Article
Chemistry, Multidisciplinary
Shuo Li, Thomas Frauenheim, Junjie He
Summary: It is theoretically feasible to detect and manipulate the valley degree of freedom in two-dimensional hexagonal lattices with both inversion asymmetry and time-reversal symmetry. Surface functionalization can induce intrinsic ferrovalley polarization in MXenes, and the presence of spin-orbital coupling ensures their time-reversal symmetry. Through chemical engineering of functionalization, the structure-property relationship in 2D layers can be tuned to achieve desirable spin-valley coupling. This theoretical insight provides a new opportunity for valleytronics and spintronics.
Review
Chemistry, Multidisciplinary
Dongzhe Li, Shuo Li, Chengyong Zhong, Junjie He
Summary: The review focuses on the recent progress in 2D magnets and heterostructures from a theoretical perspective, summarizing different theoretical models used to describe magnetic orders and discussing current strategies for tuning magnetism in 2D materials. The challenges and opportunities for 2D magnetism in the future are also highlighted.
