Results 181 to 190 of about 13,478,919 (312)
A Simple Descriptor for Solid‐State Ionic Conductors Across Chemistries
Advanced Materials, EarlyView.Researchers develop a simple and transferable descriptor, distance contraction, for solid‐state ion migration across Li‐, Na‐, K‐, and Mg‐ion conductors and diverse anion chemistries. By capturing the maximum local contraction experienced by the migrating ion, the descriptor enables rapid materials screening and unifies diverse ion‐transport mechanisms.
Ramanuja Srinivasan Saravanan +4 more
wiley +1 more source
Biomass DNA: An Emerging Building Block for Advanced Materials
Advanced Materials, EarlyView.Biomass DNA is rapidly emerging from its traditional role as a genetic blueprint to serve as a versatile abundant, highly programmable polymeric building block. This review highlights the transformation of macroscopic bulk biomass DNA into next generation of functional materials, spanning from dynamic hydrogels, sustainable bioplastics, and high ...
Yuwei Hu, Itamar Willner, Li Niu
wiley +1 more source
Synthesis of Ti2B2Clx MBenes in Molten Salts From Theoretical and Experimental Perspectives
Advanced Materials, EarlyView.By integrating a theoretical framework with experiments, Ti2InB2 was selectively etched with ZnCl2 to produce a multilayer (ml) Ti2B2Clx MBene. The In atoms are completely removed, with simultaneous incorporation of chlorine surface terminations. in situ x‐ray diffraction indicates a direct biphasic transformation from Ti2InB2 to ml‐MBene, with no ...
Rodrigo M. Ronchi +15 more
wiley +1 more source
Nuclear-Electronic Orbital Theory: Exploring Nuclear Quantum Effects in Chemistry, Biology, and Materials. [PDF]
J Am Chem SocHammes-Schiffer S.
europepmc +1 more source
Advanced Materials, EarlyView.A multifunctional polymer layer with amide and imidazolium groups simultaneously suppresses dendrite growth and hydrogen evolution in Zn‐ion batteries. By providing Zn2+ binding sites and forming a confined‐water domain that acts as a coordination bridge, it boosts single‐ion conductivity and stability, enabling 4000 stable cycles in Zn‐I2 full cells ...
Jin Seong Cha +8 more
wiley +1 more source
A New Paradigm for Computational Chemistry. [PDF]
J Am Chem SocHusistein RT, Reiher M.
europepmc +1 more source
Advanced Materials, EarlyView.A method to synthesize 1 million compositionally distinct Cs3Bi2‐𝛼Sb𝛼Br9−xIx across a quaternary compositional space on a single glass substrate is presented. High‐throughput characterization is then used to map the interplay of composition, structure, and bandgap.
Olivier J. G. L. Chevalier +9 more
wiley +1 more source
Organometallic complexes as donors and non-fullerene acceptors for organic solar cells: DFT-guided design, structure-property relationships, and future directions. [PDF]
RSC AdvKhan MU.
europepmc +1 more source
Phase Diagrams Enable Solid‐State Battery Design
Advanced Materials Interfaces, EarlyView.Batteries are non‐equilibrium devices with inherent thermodynamic driving forces to react at interfaces, regardless of kinetics or operating conditions. Chemical potential mismatches across interfaces are dissipated via interfacial reactions. In this work, it is illustrated how phase diagrams and chemical potential maps predict degradation pathways but
Nathaniel L. Skeele, Matthias T. Agne
wiley +1 more source
Complementary Employment of Shell DFT-1/2 and HSE06 for Defect State Calculations in InP. [PDF]
Materials (Basel)Liu Z +5 more
europepmc +1 more source