Results 171 to 180 of about 101,057 (252)

Magnesium‐Based Transient Bioelectronics, Bio‐Optics and Bio‐Scaffolds

Advanced Functional Materials, EarlyView.
This paper reviews the state of the art and recent advances in magnesium‐based thin‐film, foils, and scaffolds for applications in transient bio‐optics, bioelectronics and tissue engineering. The design principles, fabrication methods, material properties, and integration strategies are discussed in detail.
Massimo Mariello, Yves Leterrier
wiley   +1 more source

Accurate Crystal Structure Prediction of New 2D Hybrid Organic-Inorganic Perovskites. [PDF]

J Am Chem Soc
Karimitari N, Baldwin WJ, Muller EW, Bare ZJL, Kennedy WJ, Csányi G, Sutton C.   +6 more
europepmc   +1 more source

Correlated Metal LaNiO3 as a p‐Type Transparent Conductor

Advanced Functional Materials, EarlyView.
p‐type transparent conducting oxides are needed to enable superstrate solar cell geometries with n‐type absorbers. The p‐type correlated metal LaNiO3 combines high optical transmission with low electrical resistivity and is compatible with a range of scalable deposition processes.
Shivang Beniwal, Emmeline G. Poole, Jacob Plowman, Troy D. Manning, Teresa Partida Manzanera, Kevin Sanderson, Matthew S. Dyer, Matthew J. Rosseinsky, Jonathan Alaria   +8 more
wiley   +1 more source

One-Step Synthesis Strategy for a Platinum-Based Alloy Catalyst Designed via Crystal-Structure Prediction. [PDF]

Molecules
Yan D, Kong L, Xu B, Yang B.
europepmc   +1 more source

High dielectric ternary oxides from crystal structure prediction and high-throughput screening. [PDF]

Sci Data, 2020
Qu J, Zagaceta D, Zhang W, Zhu Q.
europepmc   +1 more source

Tuning Redox Dynamics in Cu‐Based Electrocatalysts: Effect of Secondary Metals

Advanced Functional Materials, EarlyView.
Advanced analysis of operando X‐ray absorption spectroscopy data reveals that secondary metals affect the redox processes in Cu‐based catalysts for electrocatalytic CO2 reduction. This influences the amount of oxides formed under pulsed reaction conditions and the distribution of reaction products.
Martina Rüscher, Andrea Martini, Eduardo Ortega, Lichen Bai, Eric Liberra, Daniel Escalera‐López, Hyo Sang Jeon, Antonia Herzog, Clara Rettenmaier, Dorottya Hursán, David Koshy, Mariana Cecilio de Oliveira Monteiro, Timon Wagner, Leon Jacobse, Felix Haase, Arno Bergmann, Janis Timoshenko, Beatriz Roldan Cuenya   +17 more
wiley   +1 more source

A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study. [PDF]

Nat Commun
Zhou D, Bier I, Santra B, Jacobson LD, Wu C, Garaizar Suarez A, Almaguer BR, Yu H, Abel R, Friesner RA, Wang L.   +10 more
europepmc   +1 more source

Mechanistic Control of C─H Bond Activation and C─C Coupling in Light‐Driven Methane Conversion to C2+ Products over Multifunctional Photocatalysts

Advanced Functional Materials, EarlyView.
Methane photocatalytic activation under mild conditions remains a formidable challenge in the synthesis of solar fuels. In this review, we emphasize the growing importance of multifunctional materials and hybrid systems within a unified mechanistic framework that integrates selective C─H bond activation, formation and control of intermediates, C─C ...
Di Hu, Yuheng Jiang, Vitaly V. Ordomsky, Bastian Mei, Zhiyong Tang, Andrei Y. Khodakov   +5 more
wiley   +1 more source

Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction. [PDF]

Acta Crystallogr B Struct Sci Cryst Eng Mater
Beran GJO, Cook CJ, Unzueta PA.
europepmc   +1 more source

Chemically Fueled Systems Chemistry Across Length Scales

Advanced Functional Materials, EarlyView.
Chemically fueled reaction cycles regulate processes through single and multiple catalytic sites on the molecular and assembly scale. This gives rise to unique kinetically controlled properties/functions like spatio‐temporal catalysis, oscillations, optical properties, and perform work.
Brigitte A. K. Kriebisch, Job Boekhoven
wiley   +1 more source