Results 231 to 240 of about 1,627,334 (303)

Hierarchical Flexible Ceramic Nanofiber Membrane for Simultaneous Membrane Distillation and Photocatalytic Hydrogen Evolution

Advanced Materials, EarlyView.
A hierarchical flexible ceramic nanofiber membrane integrates a La‐stabilized ZrO2 scaffold with superhydrophobic UiO‐66‐NH2/CdS heterojunctions. The gas–liquid–solid interfacial architecture sustains vapor‐selective desalination, visible‐light charge separation, and rapid H2 extraction, enabling simultaneous freshwater production and photocatalytic ...
Pengfei Lin, Xiaochen Lu, Jiawei Sun, Shuai Guo, Xinping He, Chunhai Yi, Zhenyao Wang, Jiaxin Guo, Swee Ching Tan, Alicia Kyoungjin An   +9 more
wiley   +1 more source

Unlocking the chemistry facilitated by enzymes that process nucleic acids using quantum mechanical and combined quantum mechanics-molecular mechanics techniques. [PDF]

Pure Appl Chem
Nikkel DJ, Wetmore SD.
europepmc   +1 more source

Atomically Precise Ag11 and Ag12 Nanocluster‐Assembled 2D Materials for Memristive and Neuromorphic Functionality

Advanced Materials, EarlyView.
Two‐dimensional Ag11 and Ag12 cluster‐assembled materials (CAMs) are synthesized, offering atomically precise platforms with tunable electronic properties. The resulting materials exhibit robust memristive switching and neuromorphic response, demonstrating their promise for advanced nanoelectronic and memory applications.
Noohul Alam, Towhidur Rahaman, Céline Besnard, Arnulf Rosspeintner, Latevi Max Lawson Daku, Saood Khan, Soumya Jyoti Ray, Thomas Bürgi   +7 more
wiley   +1 more source

MORE-Q, a dataset for molecular olfactorial receptor engineering by quantum mechanics. [PDF]

Sci Data
Chen L, Medrano Sandonas L, Traber P, Dianat A, Tverdokhleb N, Hurevich M, Yitzchaik S, Gutierrez R, Croy A, Cuniberti G.   +9 more
europepmc   +1 more source

Electrolyte Engineering Challenges and Opportunities for Next‐Generation Aqueous Ammonium‐Ion Batteries

Advanced Materials, EarlyView.
Aqueous ammonium‐ion batteries (AAIBs) face a hydrogen‐bond paradox: the HB network enables fast NH4+ transport but triggers water decomposition. This review dissects this dilemma, evaluates multiple electrolyte engineering strategies, and outlines four future directions for next‐generation AAIB design ABSTRACT Aqueous ammonium‐ion batteries (AAIBs ...
Zi‐Hang Huang, Xiaoyu Liu, Shuai Mao, Lingfeng Zhu, Zhijun Wu, Hongge Pan, Tianyi Ma   +6 more
wiley   +1 more source

Prediction of enzyme inhibition (IC₅₀) using a combination of protein-ligand docking and semiempirical quantum mechanics. [PDF]

J Mol Model
Glen RC, Cole JC, Stewart JJP.
europepmc   +1 more source

Decoding Synergistic Pathways in Bimetallic MOFs for Advanced Oxidation Processes

Advanced Materials, EarlyView.
This review presents a unified framework linking metal pairing and framework design with electronic structure, redox cycling, oxidant activation, reactive‐species generation, and catalytic performance across photocatalytic and oxidant‐based BMOF‐AOPs. The resulting design principles guide the development of hydrolytically stable and efficient BMOFs for
Karim El‐Naggar, Huayang Zhang, Shaobin Wang   +2 more
wiley   +1 more source

Hyperthermophilic xylanase and thermophilicity analysis by molecular dynamic simulation with quantum mechanics. [PDF]

Appl Microbiol Biotechnol
Boonyapakron K, Keiser B, Prabmark K, Aiewviriyasakul K, Arunrattanamook N, Jaruwat A, Chitnumsub P, Li JY, Wong TS, Zhao XQ, Liu CG, Wei DQ, Champreda V.   +12 more
europepmc   +1 more source

Lattice Strain and Built‐In Field Synergistically Boost Urea Oxidation via Dynamic NiOOH Mediation at Multiphase Heterointerfaces

Advanced Materials, EarlyView.
A sulfur‐doped lignin‐derived carbon‐coated Ni‐NiO‐MoO2 nanorod array was synthesized, exhibiting enhanced UOR performance ‐ due to lattice‐strain and built‐in electric field effects by multiphase heterogeneous interface in Ni‐NiO‐MoO2@SC, excellent corrosion resistance, mass‐transport ability, and long‐term stability (500 mA cm−2 at 1.53 V for 500 h ...
Jiawei Li, Liancen Li, Guangfu Qian, Zishan Cai, Yiping Cao, Yihao Xu, Ruyu Zhang, Jinli Chen, Changzhou Chen, Panagiotis Tsiakaras   +9 more
wiley   +1 more source

Real-space diffusion theory from quantum mechanics using analytic continuation. [PDF]

Heliyon
Sigalotti LDG, Rendón O, Luévano JR.
europepmc   +1 more source