Results 71 to 80 of about 218,969 (305)
Revealing the multi-bonding state between hydrogen and graphene-supported Ti clusters [PDF]
J. Phys. Chem. C 2016, 120, 12974-12979, 2016 Hydrogen adsorption on graphene-supported metal clusters has brought much controversy due to the complex nature of the bonding between hydrogen and metal clusters. The bond types of hydrogen and graphene-supported Ti clusters are experimentally and theoretically investigated. Transmission electron microscopy shows that Ti clusters of nanometer-size are
arxiv +1 more source
Understanding adsorption of hydrogen atoms on graphene [PDF]
, 2008 Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic density functional theory.
Cooper D. L. +6 more
core +2 more sources
Oxide‐Based Ceramic Matrix Composites for High‐Temperature Environments: A Review
Advanced Engineering Materials, EarlyView.This review examines oxide‐based ceramic matrix composites, focusing on their processing, composition, and mechanical properties for high‐temperature applications. Key topics include oxidation resistance, failure mechanisms, and corrosion behavior, with insights into their potential use in aerospace, nuclear power, and other high‐performance industries.
Karthikeyan Ramachandran +2 more
wiley +1 more source
Energy considerations show that low-barrier hydrogen bonds do not offer a catalytic advantage over ordinary hydrogen bonds [PDF]
Proceedings of the National Academy of Sciences, 1996 Low-barrier hydrogen bonds have recently been proposed as a major factor in enzyme catalysis. Here we evaluate the feasibility of transition state (TS) stabilization by low-barrier hydrogen bonds in enzymes. Our analysis focuses on the facts that ( i ) a low-barrier hydrogen bond is less stable than a regular ...
Arieh Warshel, Arno Papazyan
openaire +3 more sources
Advanced Engineering Materials, EarlyView.Molecular dynamics simulations are advancing the study of ribonucleic acid (RNA) and RNA‐conjugated molecules. These developments include improvements in force fields, long‐timescale dynamics, and coarse‐grained models, addressing limitations and refining methods.
Kanchan Yadav, Iksoo Jang, Jong Bum Lee
wiley +1 more source
Hydrogen Bonds in Excited State Proton Transfer [PDF]
Phys. Rev. Lett. 117, 163002 (2016), 2017 Hydrogen bonding interactions between biological chromophores and their surrounding protein and solvent environment significantly affect the photochemical pathways of the chromophore and its biological function. A common first step in the dynamics of these systems is excited state proton transfer between the non-covalently bound molecules, which ...
arxiv +1 more source
Hybrid Framework Materials: Next‐Generation Engineering Materials
Advanced Engineering Materials, EarlyView.Hybrid organic–inorganic materials merge the unique properties of organic and inorganic compounds, enabling applications in optoelectronics, gas storage, and catalysis. This review explores metal‐organic frameworks, hybrid organic–inorganic perovskites, and the emerging field of hybrid glasses, emphasizing their structures, functionalities, and ...
Jay McCarron +2 more
wiley +1 more source
Tunneling and delocalization in hydrogen bonded systems: a study in position and momentum space
, 2009 Novel experimental and computational studies have uncovered the proton momentum distribution in hydrogen bonded systems. In this work, we utilize recently developed open path integral Car-Parrinello molecular dynamics methodology in order to study the ...
Allen M. P. +6 more
core +1 more source
Hydrogen Absorption Properties of Metal-Ethylene Complexes [PDF]
, 2007 Recently, we have predicted [Phys. Rev. Lett. 97, 226102 (2006)] that a single ethylene molecule can form stable complexes with light transition metals (TM) such as Ti and the resulting TMn-ethylene complex can absorb up to ~12 and 14 wt % hydrogen for n=
D. Frenkel +7 more
core +4 more sources
Recent Progress on 2D‐Material‐Based Smart Textiles: Materials, Methods, and Multifunctionality
Advanced Engineering Materials, EarlyView.Advancements in 2D‐material‐integrated smart textiles are reviewed, with a focus on materials, fabrication methods, and multifunctional applications, including energy harvesting, monitoring, EMI shielding, energy storage, and thermal management. The discussion addresses key challenges and provides insights into the future development of next‐generation
Yong Choi +5 more
wiley +1 more source