Zobrazeno 1 - 10
of 33
pro vyhledávání: '"Christopher J. Heard"'
Autor:
Andreas Erlebach, Martin Šípka, Indranil Saha, Petr Nachtigall, Christopher J. Heard, Lukáš Grajciar
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-14 (2024)
Abstract Under operating conditions, the dynamics of water and ions confined within protonic aluminosilicate zeolite micropores are responsible for many of their properties, including hydrothermal stability, acidity and catalytic activity. However, d
Externí odkaz:
https://doaj.org/article/9609acdceb21471485bba5a609967026
Autor:
Christopher J. Heard, Lukas Grajciar, Cameron M. Rice, Suzi M. Pugh, Petr Nachtigall, Sharon E. Ashbrook, Russell E. Morris
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-7 (2019)
While aluminosilicate zeolites are of interest for many applications, the affect of water on zeolite stability in mild aqueous conditions has yet to be established. Here, using ab initio calculations and NMR spectroscopy, the authors show that covale
Externí odkaz:
https://doaj.org/article/3fbdfc384c7b4d0b98913b793089d74f
Autor:
Ang Li, Yuyan Zhang, Christopher J. Heard, Kinga Gołąbek, Xiaohui Ju, Jiří Čejka, Michal Mazur
Publikováno v:
Angewandte Chemie (International ed. in English).
Supported metal nanoparticles are widely used as heterogeneous catalysts but often deactivated due to sintering under harsh conditions, especially at high temperatures. Sintering can be prevented by confining metal species into a porous matrix, altho
Acidic zeolites are one of the most important catalysts. In many of their catalytic applications, the mode of interaction with water heavily influences their activity, efficiency, and durability as a catalyst. Despite the recent (first principles) co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2dfe9e2d1bc6f86d8fd83eceb91725ec
https://doi.org/10.26434/chemrxiv-2022-d1sj9
https://doi.org/10.26434/chemrxiv-2022-d1sj9
Autor:
Annette Trunschke, Nicolas Köwitsch, Dianwei Hou, Thomas Götsch, Jutta Kröhnert, Christopher J. Heard, Thomas Lunkenbein, Josef Breu, Marc Armbrüster, Kevin Ament
Publikováno v:
Angewandte Chemie
Durch die Abscheidung von ultradünnen Oxidschichten auf atomar‐flachen Metalloberflächen konnte die elektronische Struktur des Metalls und hierdurch dessen katalytische Aktivität beeinflusst werden. Die Skalierung dieser Architekturen für eine
Publikováno v:
RSC Advances. 13:8942-8942
Professor RNDr. Petr Nachtigall, PhD passed away on 28 December 2022. He was an internationally recognized expert in computational materials science; working at Charles University in the Department of Physical and Macromolecular Chemistry. We honor h
Autor:
Ondřej Veselý, Mengting Jin, Christopher J. Heard, Martin Kubů, Jiří Čejka, Lukáš Grajciar, Petr Nachtigal
New zeolitic frameworks can be prepared through the Assembly-Disassembly-Organisation-Reassembly (ADOR) process by exploiting the lability of Ge-O bonds in germanosilicate zeolites to control their hydrolysis. In the disassembly step, two key factors
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b8f0b88ddc9f0bd9a087edfa98ae49f
https://doi.org/10.26434/chemrxiv.14664789
https://doi.org/10.26434/chemrxiv.14664789
Autor:
Lukáš Grajciar, Michael Ertl, Josef Breu, Pengbo Lyu, Thomas Martin, Petr Nachtigall, Christopher J. Heard, A. V. Radha
Publikováno v:
The Journal of Physical Chemistry C. 123:25157-25165
Layered double hydroxides (LDHs) of various compositions have been shown to be potent photo- and electrocatalysts. Recently, mossbauerite, obtained by chemical oxidation of an all-iron, mixed-valen...
Publikováno v:
Chemical Science. 10:5705-5711
The common understanding of zeolite acidity is based on Lowenstein's rule, which states that Al-O-Al aluminium pairs are forbidden in zeolites. This rule is generally accepted to be inviolate in zeolites. However, recent computational research using
Autor:
Christopher J. Heard, Dianwei Hou
Unbiased density functional global optimisation calculations, followed by kinetic Monte Carlo simulations are used to enumerate the potential energy surfaces for migration of noble metals Pt and Au inside the pore system of siliceous zeolite LTA. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c1d57a88a98efc3302a987cfb2d7619
https://doi.org/10.26434/chemrxiv.14456316.v1
https://doi.org/10.26434/chemrxiv.14456316.v1