Marlies Hankel
Title
Cited by
Cited by
Year
Graphdiyne: a versatile nanomaterial for electronics and hydrogen purification
Y Jiao, A Du, M Hankel, Z Zhu, V Rudolph, SC Smith
Chemical Communications 47 (43), 11843-11845, 2011
2582011
Coordination of atomic Co–Pt coupling species at carbon defects as active sites for oxygen reduction reaction
L Zhang, JMTA Fischer, Y Jia, X Yan, W Xu, X Wang, J Chen, D Yang, ...
Journal of the American Chemical Society 140 (34), 10757-10763, 2018
1112018
State-to-state reactive differential cross sections for the reaction on five different potential energy surfaces employing a new quantum wavepacket computer …
M Hankel, SC Smith, RJ Allan, SK Gray, GG Balint-Kurti
The Journal of chemical physics 125 (16), 164303, 2006
772006
Asymmetrically decorated, doped porous graphene as an effective membrane for hydrogen isotope separation
M Hankel, Y Jiao, A Du, SK Gray, SC Smith
The Journal of Physical Chemistry C 116 (11), 6672-6676, 2012
742012
Modelling carbon membranes for gas and isotope separation
Y Jiao, A Du, M Hankel, SC Smith
Physical Chemistry Chemical Physics 15 (14), 4832-4843, 2013
732013
Understanding the Origin of Li2MnO3 Activation in Li‐Rich Cathode Materials for Lithium‐Ion Batteries
D Ye, G Zeng, K Nogita, K Ozawa, M Hankel, DJ Searles, L Wang
Advanced Functional Materials 25 (48), 7488-7496, 2015
672015
Enhanced CO2 photocatalytic reduction on alkali-decorated graphitic carbon nitride
Z Sun, JMTA Fischer, Q Li, J Hu, Q Tang, H Wang, Z Wu, M Hankel, ...
Applied Catalysis B: Environmental 216, 146-155, 2017
552017
Quantum mechanical calculation of product state distributions for the reaction on the ground electronic state surface
M Hankel, GG Balint-Kurti, SK Gray
The Journal of Chemical Physics 113 (21), 9658-9667, 2000
542000
Lithium and sodium storage on graphitic carbon nitride
M Hankel, D Ye, L Wang, DJ Searles
The Journal of Physical Chemistry C 119 (38), 21921-21927, 2015
532015
Quantum Mechanical Calculation of Reaction Probabilities and Branching Ratios for the O (1D)+ HD→ OH (OD)+ D (H) Reaction on the X̃A ‘and 11A ‘‘Adiabatic Potential Energy Surfaces
M Hankel, GG Balint-Kurti, SK Gray
The Journal of Physical Chemistry A 105 (11), 2330-2339, 2001
532001
Quantum Mechanical Calculation of Reaction Probabilities and Branching Ratios for the O (1D)+ HD→ OH (OD)+ D (H) Reaction on the X̃A ‘and 11A ‘‘Adiabatic Potential Energy Surfaces
M Hankel, GG Balint-Kurti, SK Gray
The Journal of Physical Chemistry A 105 (11), 2330-2339, 2001
532001
Lithium storage on carbon nitride, graphenylene and inorganic graphenylene
M Hankel, DJ Searles
Physical Chemistry Chemical Physics 18 (21), 14205-14215, 2016
462016
The dynamics of the H++ D 2 reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results
PG Jambrina, FJ Aoiz, N Bulut, SC Smith, GG Balint-Kurti, M Hankel
Physical Chemistry Chemical Physics 12 (5), 1102-1115, 2010
432010
Sinc wave packets: New form of wave packet for time‐dependent quantum mechanical reactive scattering calculations
M Hankel, GG Balint‐Kurti, SK Gray
International journal of quantum chemistry 92 (2), 205-211, 2003
422003
Biphenylene and phagraphene as lithium ion battery anode materials
D Ferguson, DJ Searles, M Hankel
ACS Applied Materials & Interfaces 9 (24), 20577-20584, 2017
372017
DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions
M Hankel, SC Smith, SK Gray, GG Balint-Kurti
Computer Physics Communications 179 (8), 569-578, 2008
372008
Capacitance-enhanced sodium-ion storage in nitrogen-rich hard carbon
RR Gaddam, AHF Niaei, M Hankel, DJ Searles, NA Kumar, XS Zhao
Journal of Materials Chemistry A 5 (42), 22186-22192, 2017
362017
Computational Evaluation of Lithium-Functionalized Carbon Nitride (g-C6N8) Monolayer as an Efficient Hydrogen Storage Material
T Hussain, M Hankel, DJ Searles
The Journal of Physical Chemistry C 120 (44), 25180-25188, 2016
362016
Dynamics of the D++ H 2 and H++ D 2 reactions: a detailed comparison between theory and experiment
PG Jambrina, JM Alvariņo, D Gerlich, M Hankel, VJ Herrero, ...
Physical Chemistry Chemical Physics 14 (10), 3346-3359, 2012
362012
Sodium-intercalated bulk graphdiyne as an anode material for rechargeable batteries
AHF Niaei, T Hussain, M Hankel, DJ Searles
Journal of Power Sources 343, 354-363, 2017
352017
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