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Hengyue Xu
  邮箱   xuhy21@mails.tsinghua.edu.cn 
TA的实验室:   理论化学模拟实验室
论文

Design principle and synthetic strategy for metal-organic framework composites

期刊: Composites Communications  2024
作者: Zizhou Shen,Yi Peng,Xia Li,Nana Li,Hengyue Xu,Wenting Li,Xiaotian Guo,Huan Pang
DOI:10.1016/j.coco.2024.101933

Lattice-confined localized alloying of Bi0.67TaS2 anode enabling ultrafast and stable sodium storage up to 150 C

期刊: Chemical Engineering Journal  2024
作者: Yiran Hao,Hengyue Xu,Zhuoran Lv,Xueyang Tu,Wenjing Xu,Wujie Dong,Peng Qin,Fuqiang Huang
DOI:10.1016/j.cej.2024.153876

Green and non-destructive separation of cathode materials from aluminum foil in spent lithium-ion batteries

期刊: Separation and Purification Technology  2024
作者: Pengwei Li,Hengyue Xu,Shaohua Luo,Yikai Wang,Lin Zhang,Yicheng Lin,Zhencai Li,Jia Guo,Yaolin Xu,Yanfei Zhang,Yuanzheng Yue
DOI:10.1016/j.seppur.2024.126625

Synergistic Bulk and Surface Engineering for Expeditious and Durable Reversible Protonic Ceramic Electrochemical Cells Air Electrode

AbstractReversible protonic ceramic electrochemical cells (R‐PCECs) offer the potential for high‐efficiency power generation and green hydrogen production at intermediate temperatures. However, the commercial viability of R‐PCECs is hampered by the sluggish kinetics of the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) within conventional air electrodes operating at reduced temperatures. To address this challenge, this work introduces a novel approach based on the simultaneous optimization of bulk‐phase metal‐oxygen bonds and in‐situ formation of a metal oxide nano‐catalyst surface modification. This strategy is designed to expedite the ORR/OER electrocatalytic activity of air electrodes exhibiting triple (O2−, H+, e−) conductivity. Specifically, this engineered air electrode nanocomposite‐Ba(Co0.4Fe0.4Zr0.1Y0.1)0.95Ni0.05F0.1O2.9‐δ demonstrates remarkable ORR/OER catalytic activity and exceptional durability in R‐PCECs. This is evidenced by significantly improved peak power density from 626 to 996 mW cm−2 and highly stable reversibility over a 100‐h cycling period. This research offers a rational design strategy to achieve high‐performance R‐PCEC air electrodes with superior operational activity and stability for efficient and sustainable energy conversion and storage.

期刊: Advanced Materials  2024
作者: Xi Chen,Na Yu,Yufei Song,Tong Liu,Hengyue Xu,Daqin Guan,Zheng Li,Wei-Hsiang Huang,Zongping Shao,Francesco Ciucci,Meng Ni
DOI:10.1002/adma.202403998

Atomic-scale insights into the electrochemical mechanisms of aluminum-sulfur batteries: A first-principles study of Al-S clusters on graphene

期刊: Chemical Physics Letters  2024
作者: Hengyue Xu
DOI:10.1016/j.cplett.2024.141492

Modified Zhenwu Decoction improved intestinal barrier function of experimental colitis through activation of sGC-mediated cGMP/PKG signaling

期刊: Journal of Ethnopharmacology  2024
作者: Yiqi Xu,Chunhua Huang,Hengyue Xu,Jiaruo Xu,Ka Wing Cheng,Heung Lam Mok,Cheng Lyu,Lin Zhu,Chengyuan Lin,Hor Yue Tan,Zhaoxiang Bian
DOI:10.1016/j.jep.2024.118570

Simultaneously mastering operando strain and reconstruction effects via phase-segregation strategy for enhanced oxygen-evolving electrocatalysis

期刊: Journal of Energy Chemistry  2023
作者: Daqin Guan,Chenliang Shi,Hengyue Xu,Yuxing Gu,Jian Zhong,Yuchen Sha,Zhiwei Hu,Meng Ni,Zongping Shao
DOI:10.1016/j.jechem.2023.03.033

The Dual‐Site Adsorption and High Redox Activity Enabled by Hybrid Organic‐Inorganic Vanadyl Ethylene Glycolate for High‐Rate and Long‐Durability Lithium–Sulfur Batteries (Small 20/2023)

期刊: Small  2023
作者: Wei Xiao,Gundegowda Kalligowdanadoddi Kiran,Kisoo Yoo,Jong‐Hoon Kim,Hengyue Xu
DOI:10.1002/smll.202370140

3D nanothorn cluster-like Zn-Bi2S3 sensitized WO3/ZnO multijunction with electron-storage characteristic and adjustable energy band for improving sustained photoinduced cathodic protection application

期刊: Chemical Engineering Journal  2023
作者: Baorong Hou,Jizhou Duan,Xiaohui Wang,Hengyue Xu,Zhuoyuan Chen,Mengmeng Sun,Yuying Yang
DOI:10.1016/j.cej.2023.141458

The Dual‐Site Adsorption and High Redox Activity Enabled by Hybrid Organic‐Inorganic Vanadyl Ethylene Glycolate for High‐Rate and Long‐Durability Lithium–Sulfur Batteries

期刊: Small  2023
作者: Hengyue Xu,Jong‐Hoon Kim,Kisoo Yoo,Gundegowda Kalligowdanadoddi Kiran,Wei Xiao
DOI:10.1002/smll.202206750

The bio-inspired heterogeneous single-cluster catalyst Ni100–Fe<sub>4</sub>S<sub>4</sub> for enhanced electrochemical CO<sub>2</sub> reduction to CH<sub>4</sub>

A heterogeneous single-cluster catalyst Ni100-Fe4S4via bio-inspired design strategy exhibits excellent theoretical CO2 electroreduction performance.

期刊: Nanoscale  2023
作者: Lan Ma,Daqin Guan,Hengyue Xu
DOI:10.1039/d2nr06665c

Detection and treatment of biofilm-induced periodontitis by histidine-doped FeSN nanozyme with ultra-high peroxidase-like activity

期刊: Journal of Colloid and Interface Science  2023
作者: Bowen Shen,Lei Yang,Hengyue Xu,Yangheng Zhang,Dengming Ming,Liying Zhu,Yuxian Wang,Ling Jiang
DOI:10.1016/j.jcis.2023.06.188

How Alginate Lyase Produces Quasi-Monodisperse Oligosaccharides: A Normal Mod-Based Docking and Molecular Dynamics Simulation Study

作者: Xu Hengyue,Li Lu,Su Ting,Gao Qi,Dengming Ming
DOI:10.2139/ssrn.4585434

Exceptional Anisotropic Noncovalent Interactions in Ultrathin Nanorods: The Terminal σ-Hole

期刊: ACS Applied Materials & Interfaces  2022
作者: Daqin Guan,Hengyue Xu
DOI:10.1021/acsami.2c14041

A universal chemical-induced tensile strain tuning strategy to boost oxygen-evolving electrocatalysis on perovskite oxides

Exploring effective, facile, and universal tuning strategies to optimize material physicochemical properties and catalysis processes is critical for many sustainable energy systems, but still challenging. Herein, we succeed to introduce tensile strain into various perovskites via a facile thermochemical reduction method, which can greatly improve material performance for the bottleneck oxygen-evolving reaction in water electrolysis. As an ideal proof-of-concept, such a chemical-induced tensile strain turns hydrophobic Ba5Co4.17Fe0.83O14- δ perovskite into the hydrophilic one by modulating its solid–liquid tension, contributing to its beneficial adsorption of important hydroxyl reactants as evidenced by fast operando spectroscopy. Both surface-sensitive and bulk-sensitive absorption spectra show that this strategy introduces oxygen vacancies into the saturated face-sharing Co-O motifs of Ba5Co4.17Fe0.83O14- δ and transforms such local structures into the unsaturated edge-sharing units with positive charges and enlarged electrochemical active areas, creating a molecular-level hydroxyl pool. Theoretical computations reveal that this strategy well reduces the thermodynamic energy barrier for hydroxyl adsorption, lowers the electronic work function, and optimizes the charge/electrostatic potential distribution to facilitate the electron transport between active sites and hydroxyl reactants. Also, this strategy is reliable for other single, double, and Ruddlesden–Popper perovskites. We believe that this finding will enlighten rational material design and in-depth understanding for many potential applications.

期刊: Applied Physics Reviews  2022
作者: Zongping Shao,Wei Zhou,Xiaomin Xu,Meng Ni,Yuan Zhang,Bin Chen,Zhiwei Hu,Yu-Cheng Huang,Hengyue Xu,Jian Zhong,Daqin Guan
DOI:10.1063/5.0083059

Embedding Atomically Dispersed Iron Sites in Nitrogen‐Doped Carbon Frameworks‐Wrapped Silicon Suboxide for Superior Lithium Storage

期刊: Advanced Science  2022
作者: Huan Pang,Qing Li,Yuxin Shi,Yangyi Liu,Wenting Li,Hengyue Xu,Xiaotian Guo
DOI:10.1002/advs.202206084

Combined Corner‐Sharing and Edge‐Sharing Networks in Hybrid Nanocomposite with Unusual Lattice‐Oxygen Activation for Efficient Water Oxidation

期刊: Advanced Functional Materials  2022
作者: Zongping Shao,Wei Zhou,Meng Ni,Youmin Guo,Yuhui Chen,Chien‐Te Chen,Hong‐Ji Lin,Yi‐Ying Chin,Jyh‐Fu Lee,Xiaomin Xu,Chi‐Wen Pao,Yu‐Chung Chang,Yu-Cheng Huang,Yuxing Gu,Yuchen Sha,Chao Jing,Zhiwei Hu,Daqin Guan,Hengyue Xu,Yongxin Gao,Haijuan Zhang
DOI:10.1002/adfm.202207618

Tensile‐Strained RuO <sub>2</sub> Loaded on Antimony‐Tin Oxide by Fast Quenching for Proton‐Exchange Membrane Water Electrolyzer

期刊: Advanced Science  2022
作者: Lunhui Guan,Jianren Huang,Minghao Wang,Nannan Jiang,Hengyue Xu,Bing Huang
DOI:10.1002/advs.202201654

The adaptability of H9N2 avian influenza A virus to humans: A comparative docking simulation study

期刊: Biochemical and Biophysical Research Communications  2020
作者: Dengming Ming,Yifan Song,Jiaqiang Qian,Hengyue Xu
DOI:10.1016/j.bbrc.2020.06.065

Structure, stability, electronic and magnetic properties of monometallic Pd, Pt, and bimetallic Pd-Pt core–shell nanoparticles

期刊: Chemical Physics  2020
作者: Yanhui Yang,Qiang Wang,Wenjie Zhang,Pengfei Liu,Hengyue Xu
DOI:10.1016/j.chemphys.2020.110953

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