Results 141 to 150 of about 106,840 (308)

Photothermal CO2 Hydrogenation: Reactions, Mechanisms, and Catalyst Design

Carbon Energy, EarlyView.
Reactions, mechanisms, and catalyst design for photothermal CO2 hydrogenation. ABSTRACT Photothermal CO2 hydrogenation has attracted extensive attention because it provides a green and sustainable approach to fuel and chemicals production. The photothermal catalyst plays a critical role in CO2 conversion through a range of reactions.
Shuai Yan, Yuting Wang, Wenhao Zhao, Jinqiang Zhang, Guangyao Chen, Lei Jiang, Yun Wang, Yingquan Chen, Xiong Zhang, Xianhua Wang, Kuo Zeng, Hongqi Sun, Shuxin Ouyang, Yonggang Yao, Haiping Yang, Hanping Chen   +15 more
wiley   +1 more source

Stability and hydrogen storage performance of Na₂LiXH₆ (X = Zr, V, Cr) double perovskite hydrides <i>via</i> DFT and AIMD. [PDF]

RSC Adv
Kaleem M, Asif Iqbal MM, Khan AN.
europepmc   +1 more source

Shedding Light on Synthetic Autocatalysis: From Conventional Closed‐Shell Chemistries to Overlooked Open‐Shell Occurrences

Chemistry – A European Journal, EarlyView.
Why add another catalyst when the product itself holds the power to catalyze its own formation? Autocatalysis in synthetic chemistry enhances reaction efficiency and uncovers novel catalytic behavior across both closed‐shell and open‐shell systems, expanding reactivity and enabling innovative design strategies.
Jaspreet Kaur, Joshua P. Barham
wiley   +1 more source

Density functional study of barium and strontium boron hydrides for hydrogen storage and optoelectronic applications. [PDF]

Sci Rep
Kumar A, Etabti H, Kumar K, Kumar A.
europepmc   +1 more source

Methyl on the Bridge: 2‐Methyl Propellane as Precursor for 1,3‐Substituted 2‐Methylated Bicyclo[1.1.1]Pentanes

Chemistry – A European Journal, EarlyView.
The synthesis of 2‐methyl propellane and its conversion to various 1,2‐ and 1,2,3‐di‐ and trisubstituted bicyclopentanes is reported. Abstract Bicyclo[1.1.1]pentanes (BCPs) have emerged as isosteric replacements for mono‐ and para‐substituted benzene rings in medicinal and materials applications, involving substitution at the BCP bridgehead (1,3 ...
Sean R. Verschaeve, Mariana Gomes Manso, Tibo Van Eeckhoorn, Mark E. Light, Bruno Linclau   +4 more
wiley   +1 more source

Computational analysis of X₂CaZnH₆ (X = K, Rb and Cs) hydrides for hydrogen storage. [PDF]

Sci Rep
Al-Zoubi N, Almahmoud A, Almahmoud A, Jaradat A, Obeidat A.   +4 more
europepmc   +1 more source

Protonation‐Induced Electron Density Redistribution Facilitates Aggregation in PNNP Dicopper Hydride Complexes

Chemistry – A European Journal, EarlyView.
Copper(I) hydride complexes often exhibit diverse aggregation behavior that can profoundly influence their structure and reactivity. In this study we use a combined experimental and computational approach to identify key structural an electronic factors that govern aggregation in PNNP dicopperhydride complexes.
Roel Laurentius Maria Bienenmann, Chattawat Thangsrikeattigun, Alexandra Julia Schanz, Martin Lutz, Mu‐Hyun Baik, Daniël Laurens Johannes Broere   +5 more
wiley   +1 more source

Computational discovery of high-temperature superconducting ternary hydrides via deep learning. [PDF]

Natl Sci Rev
Wang X, Zhang C, Wang Z, Liu H, Lv J, Wang H, Weinan E, Ma Y.   +7 more
europepmc   +1 more source

Synthesis of Dithienylcycloalkene Molecular Switches Enabled by a Bench‐Stable Ti‐Complex

Chemistry – A European Journal, EarlyView.
Herein we report a set of cycloalkene‐bridged DTEs with ring sizes ranging from 4‐ to 7‐membered rings. The synthesis of these analogs was performed via a key McMurry coupling step, which was enabled by a practical, bench‐stable Ti(IV)‐complex. Remarkably, it is shown that the strained cyclobutene bridge outperforms other rings, even the most commonly ...
Marcell M. Bogner, Márton Hegedűs, Péter P. Kalapos, Attila Kunfi, Gábor London   +4 more
wiley   +1 more source

Alkali metal cation effects for rapid C-H activation by iron(0) complexes. [PDF]

Chem Sci
Hidalgo N, Southwell KW, Donnelly RS, Mercado BQ, Krajewski SM, Wang X, Holland PL.   +6 more
europepmc   +1 more source