Results 191 to 200 of about 65,345 (302)

Experimental and Theoretical Investigation of the <i>κ</i>-Phase (Ag₂Mg₅) in the Ag-Mg System. [PDF]

Materials (Basel)
Gozdur W, Gierlotka W, Bieda M, Gąsior W, Budziak A, Polański M, Pęska M, Dębski A.   +7 more
europepmc   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

Resolving the Structural Duality of Graphene Grain Boundaries

Advanced Materials, EarlyView.
Cantilever ncAFM resolves the atomic structure of grain boundaries in graphene, revealing coexisting stable and metastable types. Both contain pentagon/heptagon defects, but metastable GBs show irregular geometries. Modeling shows metastable GBs form under compression, exhibiting vertical corrugation, while stable GBs are flat.
Haojie Guo, Emiliano Ventura‐Macías, Mariano D. Jiménez‐Sánchez, Nicoleta Nicoara, Pierre Mallet, Jean‐Yves Veuillen, Vincent T. Renard, Antonio J. Martínez‐Galera, Pablo Pou, Julio Gómez‐Herrero, Rubén Pérez, Iván Brihuega   +11 more
wiley   +1 more source

Training thermodynamic computers by gradient descent. [PDF]

Proc Natl Acad Sci U S A
Whitelam S.
europepmc   +1 more source

Crystal Growth Engineering for Dendrite‐Free Zinc Metal Plating

Advanced Materials, EarlyView.
This research employed the rare‐earth ion dysprosium (Dy) to modulate aqueous zinc (Zn) metal plating. Integrated multiscale experiments and computational modeling unveiled the preferential adsorption of Dy on specific crystal facets, which activated screw dislocation‐driven Zn growth.
Guifang Zeng, Sharona Horta, Qing Sun, Malik Dilshad Khan, Maria Ibáñez, Yuhang Han, Shang Wang, Longqiu Li, Lijie Ci, Yanhong Tian, Andreu Cabot   +10 more
wiley   +1 more source

Thermodynamic and Transport Properties of Alkanes (C_nH_2n+2; n = 5-8). [PDF]

ChemistryOpen
Awasthi D, Gautam N, Khanal SP, Koirala RP, Adhikari NP.   +4 more
europepmc   +1 more source

Water Permeates and Plasticizes Amorphous Carbon Dots: Unraveling the Inner Accessibility of the Nanoparticles by Glass Transition Studies

Advanced Materials, EarlyView.
The water permeability of amorphous carbon dots (CDs) is demonstrated by investigating their plasticization. Novel polyamide‐based and amorphous nanoparticles are synthesized by controlling their inner packing density. Water plasticization is evidenced by the decrease of the CDs glass transition temperature with increasing the hydration degree.
Elisa Sturabotti, Valerio Di Lisio, Lucia Cardo, Alessandro Camilli, Estela Moretón Alfonsín, Daniele Cangialosi, Amaia Iturrospe Ibarra, Arantxa Arbe, Maurizio Prato   +8 more
wiley   +1 more source

Rethinking Nitrate Aerosol Substitution for Sulfate in Winter Haze. [PDF]

Environ Sci Technol
Gao Y, Liu M, Lin W, Wang H, Cao J, Pan Y, Dong H, Zeng L, Zhang Q, Guo S, Hu M.   +10 more
europepmc   +1 more source

Solvent‐Free Thermal Defect Engineering in Molecular Frameworks With Volatile Linkers

Advanced Materials, EarlyView.
Thermal removal of neutral volatile linkers enables precise and solvent‐free generation of metal vacancies in MOFs. This strategy affords redox‐stable, coordinatively unsaturated FeII sites with tunable spin, ligand coordination, and catalytic behavior. The approach offers a general route to design defect‐functional materials through local coordination
Sonia Martínez‐Giménez, Alejandro Orellana‐Silla, Marta Galbiati, Efrén Navarro‐Moratalla, Luca Braglia, Sara Stolfi, José Antonio Real, Víctor Rubio‐Giménez, Sergio Tatay, Carlos Martí‐Gastaldo   +9 more
wiley   +1 more source

New Insights into the Thermodynamic Properties and Raman Vibrational Modes of Polyhalite from Density Functional Theory. [PDF]

Molecules
Cheng H, Chen Y, Zhang S.
europepmc   +1 more source