Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Benjamin W, Noffke"'
Publikováno v:
Journal of Chemical Theory and Computation. 16:2160-2171
We present a novel and systematic fragmentation scheme to treat polycyclic aromatic hydrocarbons (PAHs) built off the molecules-in-molecules composite method. Our algorithm generates a set of biphenyl and naphthalene subsystems overlapping by whole s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a865dae760a5b41851d78929be04a77
https://doi.org/10.1021/acs.jctc.9b00566
https://doi.org/10.1021/acs.jctc.9b00566
Autor:
Allen R. Siedle, Krishnan Raghavachari, Xingfeng Gao, Yi Cui, Yongzhu Fu, Liang-shi Li, Yijun Liu, Yaroslav Lozovyj, Benjamin W. Noffke
Publikováno v:
Physical Chemistry Chemical Physics. 20:14287-14290
Graphite monofluoride (GF) can undergo reductive defluorination in the presence of weak, non-nucleophilic reductants. This leads to a new approach to GF-polyaniline composites as cathode materials for significantly improving the discharge capacity of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2bc75e5d323300f595826b0be0739893
https://doi.org/10.1039/c8cp00384j
https://doi.org/10.1039/c8cp00384j
Publikováno v:
The Journal of Physical Chemistry C. 121:7208-7213
The differences between the dissociative adsorption of chloroethane-d5 (C2D5Cl) and iodoethane-d5 (C2D5I) on a Si(100)-2 × 1 surface are compared by analyzing the results of density functional theory (DFT) calculations and temperature-programmed des
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::09e9aeeea4365cafae58839fe4c696df
https://doi.org/10.1021/acs.jpcc.6b12184
https://doi.org/10.1021/acs.jpcc.6b12184
Autor:
Dongping Li, Richard N. Schaugaard, Yijun Liu, Krishnan Raghavachari, Benjamin W. Noffke, Liang-shi Li, Lu Liu, Xiaoxiao Qiao, Qiqi Li
Publikováno v:
Journal of the American Chemical Society. 139:3934-3937
Improving energy efficiency of electrocatalytic and photocatalytic CO2 conversion to useful chemicals poses a significant scientific challenge. We report on using a colloidal nanographene to form a molecular complex with a metal ion to tackle this ch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c914a4d9f00f8736ee152e4a1395115f
https://doi.org/10.1021/jacs.6b12530
https://doi.org/10.1021/jacs.6b12530
Publikováno v:
Current Opinion in Colloid & Interface Science. 20:346-353
Carbon materials have played very important roles in our society. Due to their complexity and inhomogeneity, however, our understandings of these materials have seriously lagged behind. As a result, development of new carbon materials has been largel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::558400dc9e6936224e26a4753417271a
https://doi.org/10.1016/j.cocis.2015.10.008
https://doi.org/10.1016/j.cocis.2015.10.008
Autor:
Krishnan Raghavachari, Xiaoxiao Qiao, Xinfeng Gao, Qiqi Li, Benjamin W. Noffke, Liang-shi Li, Yijun Liu
Publikováno v:
The Journal of Physical Chemistry Letters. 6:3645-3649
Graphene fluorination with XeF2 is an attractive method to introduce a nonzero bandgap to graphene under mild conditions for potential electro-optical applications. Herein, we use well-defined graphene nanostructures as a model system to study the re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a76198dd2cebaf060f7d0226c36e599
https://doi.org/10.1021/acs.jpclett.5b01756
https://doi.org/10.1021/acs.jpclett.5b01756
Autor:
Xiaoxiao, Qiao, Qiqi, Li, Richard N, Schaugaard, Benjamin W, Noffke, Yijun, Liu, Dongping, Li, Lu, Liu, Krishnan, Raghavachari, Liang-Shi, Li
Publikováno v:
Journal of the American Chemical Society. 139(11)
Improving energy efficiency of electrocatalytic and photocatalytic CO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::bdc87540e5ca99f79a3c8ce193bd4578
https://pubmed.ncbi.nlm.nih.gov/28271885
https://pubmed.ncbi.nlm.nih.gov/28271885
Publikováno v:
MRS Proceedings. 1725
Fundamental understanding of the oxygen reduction reaction (ORR) electrocatalyzed by nitrogen-doped carbon requires a well-defined structure to correlate structure to function. Well-characterized N-doped graphitic nanostructures derived from benzene
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6645da9b6c7f22854472d1354e4e133b
https://doi.org/10.1557/opl.2015.164
https://doi.org/10.1557/opl.2015.164