Results 151 to 160 of about 17,877 (250)

SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change. [PDF]

J Chem Theory Comput
Surjuse KA, Valeev EF.
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

Recent advances in MOF-based single-atom photocatalysts for CO₂ to solar fuel conversion under sunlight irradiation. [PDF]

Chem Sci
Majeed A, Duong MK, Nguyen VD, Do TO.
europepmc   +1 more source

Influence of Near Neighbor Atoms on the Energy of Cubic Material in Modified Embedded Atom Method

Influence of Near Neighbor Atoms on the Energy of Cubic Material in Modified Embedded Atom Method
identifier:oai:t2r2.star.titech.ac.jp ...
openaire  

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

Geometric and Electronic Engineering of Hydrogen Peroxide Production Electrocatalysts. [PDF]

Nanomicro Lett
Zhang C, Song M, Qi H, Hu H, Zhang L, Zhang H, Bao L, Yang H, Zhang J, Lu X.   +9 more
europepmc   +1 more source

A Functional 2D Carbon Allotrope Combining Nanoporous Graphene and Biphenylene Segments

Advanced Materials, EarlyView.
The synthesis of a novel nanoporous graphene (NPG) is reported with biphenylene segments via thermal fusion of 12‐armchair porous graphene nanoribbons grown on gold surfaces. Characterization using STM, AFM, and DFT reveals low‐defect semiconducting behaviour and tunable band gaps.
Paula Angulo‐Portugal, Martin Irizar, Longfeng Huang, Mamun Sarker, Mustafa A. Ashoush, Zakaria M. Abd El‐Fattah, Johannes Barth, Frederik Schiller, Afaf El‐Sayed, Fei Gao, Dimas G. de Oteyza, Alexander Sinitskii, Aran Garcia‐Lekue, Martina Corso, Ignacio Piquero‐Zulaica   +14 more
wiley   +1 more source

Triangular BN-Embedded Molecular Carbons with Zigzag Edges and Their Dual Functionality in Fluoroanion Detection and Perovskite Solar Cells. [PDF]

JACS Au
Yang B, Li Y, Hu J, Fan Z, Fan J, Sun H, Sun Y, Liu Z, Li J, Wei J.   +9 more
europepmc   +1 more source

Mesoporous Silica Nanoparticles in Biomedicine: Advances and Prospects

Advanced Materials, EarlyView.
Mesoporous silica nanoparticles offer unique properties like high surface area, tunable pores, and functionalization. They excel in drug delivery, tissue engineering, and stimuli‐responsive therapies, enabling targeted and controlled treatments. With roles in cancer therapy and diagnostics, their clinical translation requires addressing challenges in ...
Miguel Manzano, María Vallet‐Regí
wiley   +1 more source

Heat and mass transfer under non-stationary external influence. [PDF]

Sci Rep
Pogorelov A, Karnaukhov IN.
europepmc   +1 more source