Results 131 to 140 of about 18,365 (214)

Electronic Structure Modulation in Dopant‐Controlled Single‐Atom Graphene Catalysts for Efficient Hydrogen Evolution: A Machine Learning and First‐Principles Study

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
First‐principles DFT calculations and machine learning analysis show that heteroatom doping of graphene (G) significantly enhances the stabilization of transition‐metal single atoms by strengthening metal–support interactions and increasing charge transfer. N‐doped G exhibits higher adsorption energies, lower d‐band centers, and shorter TM–G bonds than
Sajjad Ali, Pir Muhammad Ismail, Muhammad Humayun, Mohamed Bououdina   +3 more
wiley   +1 more source

Pharmacodynamic modeling of colistin and imipenem against <i>in vitro Pseudomonas aeruginosa</i> biofilms. [PDF]

Biofilm
Guo Y, Yin J, Aulin LBS, Ciofu O, Moser C, Upadhyay PJ, Høiby N, Wang H, Guo T, van Hasselt JGC.   +9 more
europepmc   +1 more source

Precisely Constructed Asymmetric Coordination Tuned High‐Spin Co Sites for Sacrificial Agent‐Free H2O2 Photocatalytic Production

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The asymmetric Co–N2O2 coordination structure was precisely constructed through the assembly of Salen COF. The high‐spin (t2g4eg3$$ {\mathrm{t}}_{2\mathrm{g}}^4{\mathrm{e}}_{\mathrm{g}}^3 $$) Co center enables Pauling‐type O2 adsorption, inhibiting the cleavage of the O–O bond. π‐d conjugation enhances charge separation and transport.
Wenhui Qi, Shaonan Gu, Yinan Wang, Wenhao Yin, Bin Sun, Guowei Zhou   +5 more
wiley   +1 more source

A Molecular Electron Density Theory Study of the Domino [4+2]/[3+2] Cycloaddition Leading to a Tricyclic 1,2-Oxazine Nitrones. [PDF]

Molecules
Kącka-Zych A, Domingo LR.
europepmc   +1 more source

Next‐Generation Carbon‐Based Anodes for Alkali Metal‐Ion Batteries: Recent Progress on Biphenylene and Emerging Materials

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Recent advances in carbon‐based anodes for alkali metal‐ion batteries are critically reviewed, with emphasis on biphenylene and other emerging carbon allotropes. Biphenylene exhibits exceptional theoretical electrochemical properties beyond conventional graphite, highlighting its strong potential as a next‐generation anode material once scalable ...
Adewale Hammed Pasanaje, Nirpendra Singh
wiley   +1 more source

An Excellent Deep‐Ultraviolet Nonlinear Optical Crystal Realized via a Functional Group Based on a Two‐in‐One Strategy

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A “two‐in‐one” design strategy integrating guanidinium and carboxyl functional groups was developed to overcome the intrinsic trade‐off among SHG response, ultraviolet cutoff edge, and birefringence in DUV NLO crystals. Benefiting from non‐π‐conjugated electronic isolation, Zn‐GPA(II) simultaneously achieves a strong SHG response (2.1 × KH2PO4), an ...
Xiliang Jiang, Hongyuan Sha, Xieming Xu, Chenrui Wang, Luying Zheng, Haotian Tian, Binwen Liu, Shuaihua Wang, Guocong Guo   +8 more
wiley   +1 more source

Sensor-Based Tracking and Localization of In-Line Inspection Tools in Oil and Gas Pipelines: A Review. [PDF]

Sensors (Basel)
Zheng J, Ju B, Sun A.
europepmc   +1 more source

Seismic Performance of Reduced‐Strength Steel MRFs With SMA‐Based Superelastic Friction Dampers: An Experimental Investigation

Earthquake Engineering &Structural Dynamics, EarlyView.
ABSTRACT Shape memory alloys (SMAs) exhibit excellent self‐centering capability due to their stress‐induced phase transformation, making them highly suitable for applications in resilient infrastructure. This study investigates the seismic performance of reduced‐strength moment‐resisting frames (MRFs) equipped with SMA‐based superelastic friction ...
Faisal Nissar Malik, Liang Cao, James Ricles, Fei Shi, Chinmoy Kolay, Osman E. Ozbulut   +5 more
wiley   +1 more source

Risk assessment in metabolic dysfunction-associated steatotic liver disease and metabolic dysfunction and alcohol-related liver disease: current approaches and future directions. [PDF]

Clin Mol Hepatol
Lin H, Wang H, Yang K, Li M, Wang Y, Yip TC, Kim SU.   +6 more
europepmc   +1 more source

A Parametric Computational Framework for Modeling and Seismic Design of Post‐Tensioned Mass Timber Rocking Walls

Earthquake Engineering &Structural Dynamics, EarlyView.
ABSTRACT Post‐tensioned cross‐laminated timber (PT‐CLT) rocking walls offer a compelling seismic system combining self‐centering behavior with energy dissipation. However, progress in their performance assessment and design has been limited by the lack of a comprehensive parametric modeling tool, as exists for steel or reinforced concrete systems. This
Ghasem B. Shargh, André R. Barbosa, John W. van de Lindt, Nathan C. Brown   +3 more
wiley   +1 more source