Zobrazeno 1 - 10
of 185
pro vyhledávání: '"Paul R C Kent"'
Publikováno v:
New Journal of Physics, Vol 18, Iss 11, p 113049 (2016)
Titanium dioxide, TiO _2 , has multiple applications in catalysis, energy conversion and memristive devices because of its electronic structure. Most of these applications utilize the naturally existing phases: rutile, anatase and brookite. Despite t
Externí odkaz:
https://doaj.org/article/3e96b9ac63d5418f9c3063a992ffdf54
Autor:
Xiahan Sang, Yu Xie, Dundar E. Yilmaz, Roghayyeh Lotfi, Mohamed Alhabeb, Alireza Ostadhossein, Babak Anasori, Weiwei Sun, Xufan Li, Kai Xiao, Paul R. C. Kent, Adri C. T. van Duin, Yury Gogotsi, Raymond R. Unocic
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
Understanding bottom-up growth mechanisms of 2D transition metal carbides (MXenes) may enable new synthetic routes to tailor functional properties. Here, the authors use in situ electron microscopy, density functional theory and molecular dynamics si
Externí odkaz:
https://doaj.org/article/d211b5a4b3f34a11a4cdbd5553c0e909
Autor:
Karthik Ganeshan, Rabi Khanal, Murali Gopal Muraleedharan, Matti Hellström, Paul R. C. Kent, Stephan Irle, Adri C. T. van Duin
Publikováno v:
Journal of Chemical Theory and Computation. 18:6920-6931
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c5e7da237455c1a925098396f7ce70b
https://doi.org/10.1021/acs.jctc.2c00771
https://doi.org/10.1021/acs.jctc.2c00771
Publikováno v:
Scientific Reports. 13
The properties of $$\hbox{LaMO}_3$$ LaMO 3 (M: 3d transition metal) perovskite crystals are significantly dependent on point defects, whether introduced accidentally or intentionally. The most studied defects in La-based perovskites are the oxygen va
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6dc72c83f642a67c6b2d2dc1648a5340
https://doi.org/10.1038/s41598-023-33578-1
https://doi.org/10.1038/s41598-023-33578-1
Publikováno v:
Chemistry of Materials. 34:4975-4982
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::24b849f395c4724dcada62738f6792b2
https://doi.org/10.1021/acs.chemmater.2c00224
https://doi.org/10.1021/acs.chemmater.2c00224
Publikováno v:
Nanoscale. 14:9086-9096
MXenes are promising materials for rechargeable metal ion batteries and supercapacitors due to their high energy storage capacities, high electrical and ionic conductivities, and ease of synthesis. In this study, we predict the structure and properti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aab93c2d2c804c2e7216eee9e6387c78
https://doi.org/10.1039/d2nr02807g
https://doi.org/10.1039/d2nr02807g
Autor:
M. Chandler Bennett, Guoxiang Hu, Guangming Wang, Olle Heinonen, Paul R. C. Kent, Jaron T. Krogel, P. Ganesh
Publikováno v:
Physical Review Research. 4
The mechanisms that drive metal-to-insulator transitions (MIT) in correlated solids are not fully understood. For example, the perovskite (PV) SrCoO3 is a FM metal while the oxygen-deficient (n-doped) brownmillerite (BM) SrCoO2.5 is an anti-ferromagn
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4c6fd411c984abdaff6d5ce35a802427
https://doi.org/10.1103/physrevresearch.4.l022005
https://doi.org/10.1103/physrevresearch.4.l022005
Autor:
Hongzhi Wang, Patrick Urbankowski, Xuehang Wang, Ke Li, Yury Gogotsi, Jianmin Li, Christopher E. Shuck, Kathleen Maleski, Weiwei Sun, Paul R. C. Kent, Xiaofeng Wang, Kanit Hantanasirisakul
Publikováno v:
ChemElectroChem. 8:151-156
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5281558da16dd61a43069e829c22b360
https://doi.org/10.1002/celc.202001449
https://doi.org/10.1002/celc.202001449
Publikováno v:
The Journal of Physical Chemistry A. 124:9867-9876
The van der Waals interaction is of foundational importance for a wide variety of physical systems. In particular, van der Waals forces lie at the heart of potential device technologies that may be realized from the functional organization of layered
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::077453795a359c4ef44fcf8aa797fac3
https://doi.org/10.1021/acs.jpca.0c05973
https://doi.org/10.1021/acs.jpca.0c05973
Autor:
Zhaoyang Ma, Jia Wenzhe, V. Gauthier-Brunet, Yu Wenbo, Christophe Tromas, Paul R. C. Kent, Feng Guo, Pengcheng Zhang, Weiwei Sun, Sylvain Dubois
Publikováno v:
Journal of the European Ceramic Society. 40:2279-2286
The role of X deficiency on the mechanical properties of MAX phases was studied by synthesizing Ti2AlN through powder metallurgy in stoichiometric and sub/extra-stoichiometric nitrogen compositions. XRD analyses and ab initio calculations indicate th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::418589c514b0e9a9744086ea31e82ed1
https://doi.org/10.1016/j.jeurceramsoc.2020.02.014
https://doi.org/10.1016/j.jeurceramsoc.2020.02.014