Zobrazeno 1 - 10
of 97
pro vyhledávání: '"Ranjit T Koodali"'
Publikováno v:
AIMS Materials Science, Vol 2, Iss 3, Pp 230-242 (2015)
Mesostructured titanium dioxide materials were prepared by Evaporation-Induced Self-Assembly (EISA) method using titanium isopropoxide and a cationic surfactant. The titania phase could be tuned by simply varying the aging time. As the aging time inc
Externí odkaz:
https://doaj.org/article/c690873f97ed43d799a87b3079a861d6
Publikováno v:
Catalysis Today. 371:77-84
The development of advanced materials is an important aspect of modern life. However, the discovery of novel materials involves searching the vast chemical space to find materials with desired properties. Recent developments in the applications of Ma
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2a49542d86d57cc5d162b3a8e60a120d
https://doi.org/10.1016/j.cattod.2020.07.074
https://doi.org/10.1016/j.cattod.2020.07.074
Autor:
Heidi L. Sieverding, David E. Clay, Eakalak Khan, Jayaraman Sivaguru, Mahesh Pattabiraman, Ranjit T. Koodali, Mafany Ndiva-Mongoh, James J. Stone
Publikováno v:
Agricultural & Environmental Letters, Vol 1, Iss 1 (2016)
The expected worldwide demand for agriculture, energy, and manufactured products will result in a supply chain that is increasingly dependent on exported rural products (e.g., livestock, cereal grains, fossil fuel, and biofuel). Rural areas such as t
Externí odkaz:
https://doaj.org/article/8c03f950aa7f4a1481db5785627b30b5
Publikováno v:
Journal of Chemical Information and Modeling. 60:1928-1935
The use of machine learning in chemistry is on the rise for the prediction of chemical properties. The input feature representation or descriptor in these applications is an important factor that affects the accuracy as well as the extent of the expl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d262f7141168952f6330866234d7c68
https://doi.org/10.1021/acs.jcim.9b00835
https://doi.org/10.1021/acs.jcim.9b00835
Publikováno v:
Physical Chemistry Chemical Physics. 22:14910-14917
Neural network potentials (NNPs) trained against density functional theory (DFT) are capable of reproducing the potential energy surface at a fraction of the computational cost. However, most NNP implementations focus on energy and forces. In this wo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ff21fcbe0cfce76d7a9b716b64821be9
https://doi.org/10.1039/d0cp01112f
https://doi.org/10.1039/d0cp01112f
Publikováno v:
European Journal of Organic Chemistry. 2019:104-111
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f261228e0d14921cc74b1dcbed3f9607
https://doi.org/10.1002/ejoc.201801290
https://doi.org/10.1002/ejoc.201801290
Publikováno v:
Chemosphere. 213:481-497
In this paper, we report the combination of two metal oxides (TiO2 ZnO) that allows mixed density of states to reduce band gap energy, facilitating the photo-oxidation of Congo red dye under visible light. For the oxidation, a possible mechanism is p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::df87289b6d515ded3eba6f14abb8f56f
https://doi.org/10.1016/j.chemosphere.2018.09.053
https://doi.org/10.1016/j.chemosphere.2018.09.053
Autor:
Sivagowri Shanmugaratnam, Ranjit T. Koodali, Dhayalan Velauthapillai, Balaranjan Selvaratnam, Yohi Shivatharsiny, Aravind Baride, Punniamoorthy Ravirajan
Publikováno v:
Catalysts
Volume 11
Issue 5
Catalysts, Vol 11, Iss 589, p 589 (2021)
Volume 11
Issue 5
Catalysts, Vol 11, Iss 589, p 589 (2021)
Earth–abundant transition metal chalcogenide materials are of great research interest for energy production and environmental remediation, as they exhibit better photocatalytic activity due to their suitable electronic and optical properties. This
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a9b7562e72388dc04ddeb45ee1a587e
Publikováno v:
Journal of Nanoparticle Research. 23
Discovery of new photocatalytic materials that can efficiently degrade organic contaminants is of great interest. In the present work, TiO2 was spatially dispersed over two siliceous mesoporous supports, SBA-15, representing an example of a material
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::14b98eea110b1f068b48b9ca9ff54902
https://doi.org/10.1007/s11051-021-05148-x
https://doi.org/10.1007/s11051-021-05148-x
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(26)
Neural network potentials (NNPs) trained against density functional theory (DFT) are capable of reproducing the potential energy surface at a fraction of the computational cost. However, most NNP implementations focus on energy and forces. In this wo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::7e1143f077355fae74f6f330e3c1d34f
https://pubmed.ncbi.nlm.nih.gov/32584353
https://pubmed.ncbi.nlm.nih.gov/32584353