Wenliang Li

Molecular Design of 1D Iron‐Based MOF for High‐Performance Oxygen Evolution Reaction

Jiangyan Dang, Muhammad Rafiq, Wenjuan Xu, Dan Xie et autres

ABSTRACT We designed a series of one‐dimensional metal–organic frameworks (MOFs) on nickel‐iron foam (NiFe foam) surfaces via molecular tailoring and assembly to achieve enhanced electrocatalytic performance. Molecular tailoring was accomplished by introducing secondary metal ions (Ni or CoNi) and substituting bulky ligands …

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Resnet-Driven In Silico Identification of Lead Peptides from the Venom Gland Transcriptome of Orientothele washanensis Coupled with Molecular Docking and Dynamics Simulation

Xin Zeng, Wen-Feng Du, Wen-hao Yin, Jun-Yao Zhu et autres

Background: Orientothele washanensis is a venomous spider with considerable ecological and scientific importance. Its venom, characterized by complex composition and ease of collection, serves as a valuable resource for the discovery of natural peptide drugs. Conventional wet-lab screening methods are limited by …

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Hydrolytically Stable Zinc-triazole-dicarboxylates for Atmospheric Water Harvesting Formed by In Situ Isomerization of Itaconic Acid

Zheng Liu, Ya-Nan Wang, Wenliang Li, Yu Qin et autres

Atmospheric water harvesting (AWH) is an effective strategy to address water scarcity in arid regions, but the key challenge lies in developing adsorbents that can efficiently capture water at low relative humidity, while enabling facile release with minimal energy input. Herein, three …

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First-Principles Investigation of the Hydrogen Evolution Mechanism on NiCoP-Based Single-Atom Catalysts

Jiangyu Bian, Kangle Wu, Wenliang Li, Bo Zhang et autres

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Method for Real-Time Analysis of Drill Bit Efficiency Using MSE

Xuan Meng, Liang-Jie Mao, Gang Wei, Mingming Li et autres

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Torque and Drag Analysis Considering Drilling Fluid Circulation

Gang Wei, Wenliang Li, Ye Zhang, Mingming Li et autres

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DFT study on hydrogen evolution and storage properties of first-row transition-metal single-atom catalysts supported on phthalocyanine

Linlin Yang, Hangyu Shi, Lei Yang, Qianqian Nie et autres

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DFT reveals the superiority of dual homo 3d TM-doped over layer-homo 3d TM-doped MoP surface for HER and OER electrocatalytic activity

Muhammad Rafiq, Sami Ur Rahman, Wenjuan Xu, Hang Xu et autres

The development of transition metal phosphides (TMPs) electrocatalysts with optimized doping configurations is crucial for advancing electrochemical water splitting technologies. Here, we systematically investigated homo dual 3d-TM-doped MoP (TM 2 @MoP) and homo-layer 3d-TM-doped MoP (TM 9 @MoP) on the 001-surface using …

Deterioration patterns and damage models of bond–slip performance at the CFRP–concrete interface under wind–sand erosion conditions

Kai Zhang, Wenliang Li, Benli Liu, Yanhua Zhao et autres

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Enhancing HER and OER through the synergetic effect of metal and ligand in a metal-organic framework, a density functional theory study

Uzma Sattar, Zeeshan Ali, Godefroid Gahungu, Wenliang Li et autres

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A Self-Oxygenating Nanozyme Cascade System for Drug-Resistant Bacterial Infected Diabetic Wound Healing

Ningning Wang, Wenying Mu, Ирина А. Колесник, Vladimir Ivanovich Potkin et autres

Chronic diabetic wounds remain challenging due to biofilm-associated antibiotic resistance, persistent hypoxia, and dysregulated inflammation. Here, we develop a copper-doped iron oxide nanozyme (CFO@PEG NPs) that synergizes with H 2 O 2 to establish a trienzyme catalytic cascade for diabetic wound regeneration. …

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Molecular Simulation Evaluation on C 2 H 2 /CO 2 Selective Adsorption in CoV-tcb Pacs-Type Metal–Organic Frameworks

Jingjing Wang, Danhong Wang, Hang Xu, Godefroid Gahungu et autres

Separation of acetylene (C 2 H 2 ) from carbon dioxide (CO 2 ) is a challenging and important problem in industry. Recently, Feng et al. and Bu et al. proposed a strategy that combined the bioisosteric (BIS) strategy with pore space …

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