Results 231 to 240 of about 236,738 (314)

Effect of boron-doping and electric field on CO₂ adsorption on C₆₀ fullerene. A DFT study. [PDF]

J Mol Model
Domínguez-Trujillo MDC, Dorazco-González A, Mandujano-Ramírez HJ, Flores-Chan JE, Sierra-Grajeda JMT, Martinez-Vargas S.   +5 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

Spin and Charge Control of Topological End States in Chiral Graphene Nanoribbons on a 2D Ferromagnet

Advanced Materials, EarlyView.
Chiral graphene nanoribbons on a ferromagnetic gadolinium‐gold surface alloy display tunable spin and charge states at their termini. Atomic work function variations and exchange fields enabe transitions between singlet, doublet, and triplet configurations.
Leonard Edens, Francisco Romero‐Lara, Trisha Sai, Kalyan Biswas, Manuel Vilas‐Varela, Thomas Frederiksen, Diego Peña, Fabian Schulz, Jose Ignacio Pascual   +8 more
wiley   +1 more source

High-Capacityand Reversible Hydrogen Storage in an Intrinsic Li₃B₂N₂ Monolayer. [PDF]

Nanomaterials (Basel)
Yu H, Chen J, Hao J, Niu C, Xu M, Li Y.
europepmc   +1 more source

Microscopic Insights into Magnetic Warping and Time‐Reversal Symmetry Breaking in Topological Surface States of Rare‐Earth‐Doped Bi2Te3

Advanced Materials, EarlyView.
Magnetic doping of the topological insulator Bi2Te3 with erbium adatoms induces out‐of‐plane magnetism and breaks time‐reversal symmetry, opening a Dirac gap and driving a Fermi surface transition from hexagonal to star‐of‐David geometry. Microscopy, spectroscopy, and magnetic dichroism reveal atomically controlled magnetic interactions that tailor the
Beatriz Muñiz Cano, Fabián Calleja, Ji Dai, Massimo Tallarida, Vera Marinova, Alessandro Barla, Marc G. Cuxart, Pierluigi Gargiani, Gonzalo N. Molina, José Angel Silva‐Guillén, Adriana I. Figueroa, Kevin García‐Díez, Sergio O. Valenzuela, Aitor Mugarza, Amadeo L. Vázquez de Parga, Rodolfo Miranda, Francisco Guinea, Manuela Garnica, Miguel A. Valbuena   +18 more
wiley   +1 more source

Two-dimensional metal-organic TMTAP monolayers as a promising class of monoatomic electrocatalysts for oxygen reduction, oxygen evolution, and hydrogen evolution reactions. [PDF]

RSC Adv
Long D, Yang X, Cheng Z, Peng S.
europepmc   +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

Flexible Metal-Organic Frameworks for Gas Handling Operations of CO₂ and Its Isotopes: Mechanisms, Regulation Strategies and Potential Applications. [PDF]

Nanomicro Lett
Geng N, Liu N, Chu S, Huang Y, Bai L, Yao MS, Guo Y, Zhu T.   +7 more
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

Integrated learning-assisted design of metal-nitrogen-carbon single-atom catalysts: electronegativity regulates the coupling rules of interfacial valence electrons. [PDF]

Chem Sci
Zhang H, Luo Z, Sun X, Zhou Y, Yan W, Li J, Zhang T, Cui H, Tian W, Feng R, Yuan H.   +10 more
europepmc   +1 more source