Results 251 to 260 of about 515,767 (328)

Valence Bond Insights into the H-Abstraction Barrier in Cytochrome P450. [PDF]

Molecules
Zhang E, Hirao H.
europepmc   +1 more source

Asymmetric Nanofiber Membranes for Simultaneous Moisture Adsorption and Rapid Catalytic Hydrolysis of Nerve Agent Simulants in Atmospheric Environments

Advanced Functional Materials, EarlyView.
Asymmetric nanofiber membranes are constructed for simultaneous moisture adsorption and catalytic hydrolysis of dimethyl 4‐nitrophenyl phosphate (DMNP) in a wide range of relative humidity. The membrane exhibits high moisture adsorption capacity and fast hygroscopic rate.
Xuejiao Wang, Yu‐Xuan Zheng, Chen Ding, Ming Zhang, Zhong‐Zhen Yu, Shaobin Wang, Dongzhi Yang   +6 more
wiley   +1 more source

Accurate and efficient machine learning interatomic potentials for finite temperature modelling of molecular crystals. [PDF]

Chem Sci
Della Pia F, Shi BX, Kapil V, Zen A, Alfè D, Michaelides A.   +5 more
europepmc   +1 more source

Fluoride‐Free Molten Salt Hydrate‐Assisted Synthesis of MXene in Air Down to 150 °C

Advanced Functional Materials, EarlyView.
A novel low‐temperature shielded salt (LSS) approach enables the synthesis of MXenes in air at temperatures as low as 150 °C using MgCl2·6H2O/LiCl. This method demonstrates successful etching of challenging MXenes like Cr2CTx and Nb2CTx through the synergistic effects of Li+ ions and salt hydrate phase changes, while eliminating the need for inert ...
Sin‐Yi Pang, Weng Fu Io, Lok‐Wing Wong, Xinyue Lao, Qianqian Bai, Kam Lin Chan, Jiong Zhao, Jianhua Hao   +7 more
wiley   +1 more source

First-principles theory for cerium predicts three distinct face-centered cubic phases. [PDF]

Sci Rep
Söderlind P, Landa A, Wu C, Swift D, Johansson B.   +4 more
europepmc   +1 more source

Supramolecular Zwitterionic Hydrogels for Information Encryption, Soft Electronics and Energy Storage at Icy Temperature

Advanced Functional Materials, EarlyView.
A series of ACHPES‐based hydrogels are developed and realizing multiple functions like anti‐fouling properties, alkali‐induced color/fluorescence‐changing ability and strain sensing. Furthermore, the hydrogels show excellent anti‐freezing performance, whose optical, mechanical and electrical properties remain stable at −47.3 °C.
Gaopeng Wang, Haochen Ni, Yifan Li, Hamdi Torun, Sherry Chen, Muhammad Wakil Shahzad, Xuehua Zhang, Si Yu Zheng, Ben Bin Xu, Jintao Yang   +9 more
wiley   +1 more source

First-principles Hubbard parameters with automated and reproducible workflows. [PDF]

NPJ Comput Mater
Bastonero L, Malica C, Macke E, Bercx M, Huber S, Timrov I, Marzari N.   +6 more
europepmc   +1 more source

Harnessing Interfacial Cl− Ions for Concurrent Formate Production at Industrial Level via CO2 Reduction and Methanol Oxidation

Advanced Functional Materials, EarlyView.
The replacement of the anodic OER in CO2RR with energy‐saving methanol oxidation reaction and the creation of a favorable microenvironment through interfacial Cl− ions enable concurrent formate production at industrial‐level current densities. Abstract The efficient electrocatalytic conversion of CO2 to formate is often impeded by the high energy ...
Yiqun Chen, Yan Zhang, Zhen Li, Biao Feng, Mengting Li, Qiang Wu, Zheng Hu, Lawrence Yoon Suk Lee   +7 more
wiley   +1 more source

Symmetry-constrained generation of diverse low-bandgap molecules with Monte Carlo tree search. [PDF]

Chem Sci
Subramanian A, Damewood J, Nam J, Greenman KP, Singhal AP, Gómez-Bombarelli R.   +5 more
europepmc   +1 more source

Flexible Optical Fiber Stress/Temperature Dual‐Mode Sensing Based on CaZnOS:Nd,Er

Advanced Functional Materials, EarlyView.
Temperature and stress sensing based on flexible optical fibers may be the key to future artificial intelligence's perception of the world, here an optical fiber sensor capable of realizing such dual mode sensing is preliminary confirmed based on CaZnOS:Nd3+,Er3+.
Pan Zheng, Yao Xiao, Puxian Xiong, Sijie Su, Anping Yang, Xuesong Wang, Shengbin Xu, Peishan Shao, Zhiyao Zhou, Sheng Wu, Enhai Song, Jiulin Gan, Dongdan Chen   +12 more
wiley   +1 more source