Zobrazeno 1 - 10
of 225
pro vyhledávání: '"and J. Karl Johnson"'
Publikováno v:
Nanomaterials, Vol 13, Iss 12, p 1853 (2023)
Having access to accurate electron densities in chemical systems, especially for dynamical systems involving chemical reactions, ion transport, and other charge transfer processes, is crucial for numerous applications in materials chemistry. Traditio
Externí odkaz:
https://doaj.org/article/6a9894c9ba86421badf4a6e4a791d100
Publikováno v:
Nanomaterials, Vol 13, Iss 11, p 1793 (2023)
The UiO-6x family of metal-organic frameworks has been extensively studied for applications in chemical warfare agent (CWA) capture and destruction. An understanding of intrinsic transport phenomena, such as diffusion, is key to understanding experim
Externí odkaz:
https://doaj.org/article/cf0a2ceb4e7d4378bd18c3d064fa6dc1
Autor:
Sanjeev Kumar Ujjain, Abhishek Bagusetty, Yuki Matsuda, Hideki Tanaka, Preety Ahuja, Carla de Tomas, Motomu Sakai, Fernando Vallejos-Burgos, Ryusuke Futamura, Irene Suarez-Martinez, Masahiko Matsukata, Akio Kodama, Giovanni Garberoglio, Yury Gogotsi, J. Karl Johnson, Katsumi Kaneko
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-10 (2021)
Separation of isotopes of heavier gases than hydrogen or helium is essential for biomedical applications, but current methods are very energy and time consuming. Here the authors report cryogenic separation of oxygen and methane isotopes through adso
Externí odkaz:
https://doaj.org/article/5635773fb2fc4e5bad50134c612db86a
Publikováno v:
ACS Applied Materials & Interfaces. 15:25873-25883
Autor:
Priyanka B. Shukla, Prakash Mishra, Tunna Baruah, Rajendra R. Zope, Koblar A. Jackson, J. Karl Johnson
Publikováno v:
The Journal of Physical Chemistry A. 127:1750-1759
Autor:
Priyanka B. Shukla, J. Karl Johnson
Publikováno v:
The Journal of Physical Chemistry C. 126:17699-17711
Publikováno v:
Journal of Chemical Theory and Computation. 18:3593-3606
Modeling of diffusion of adsorbates through porous materials with atomistic molecular dynamics (MD) can be a challenging task if the flexibility of the adsorbent needs to be included. This is because potentials need to be developed that accurately ac
There is a need to develop new materials for proton exchange mem- branes that can operate at higher temperatures and low humidities. Designing and evaluating novel membrane materials using density func- tional theory (DFT) is infeasible because of le
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf3b3da5719db3ffce26c4aec8609aea
https://doi.org/10.26434/chemrxiv-2023-zchh5
https://doi.org/10.26434/chemrxiv-2023-zchh5
Development of new materials capable of conducting protons in the absence of water is crucial for improving the performance, reducing the cost, and extending the operating conditions for proton exchange membrane fuel cells. We present detailed atomis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f04744c4e1e25fae92f9ba7f9b586dcb
https://doi.org/10.26434/chemrxiv-2023-vrz1g-v2
https://doi.org/10.26434/chemrxiv-2023-vrz1g-v2
Development of new materials capable of conducting protons in the absence of water is crucial for improving the performance, reducing the cost, and extending the operating conditions for proton exchange membrane fuel cells. We present detailed atomis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::778ebe9b4ed12a5778cf60d2e0472f3a
https://doi.org/10.26434/chemrxiv-2023-vrz1g
https://doi.org/10.26434/chemrxiv-2023-vrz1g