Hendrik H Heenen
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Explore the profile of Hendrik H Heenen including associated specialties, affiliations and a list of published articles.
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12
Citations
70
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Recent Articles
1.
Rein V, Gao H, Heenen H, Sghaier W, Manikas A, Tsakonas C, et al.
ACS Nano
. 2024 Apr;
18(19):12503-12511.
PMID: 38688475
In recent years, liquid metal catalysts have emerged as a compelling choice for the controllable, large-scale, and high-quality synthesis of two-dimensional materials. At present, there is little mechanistic understanding of...
2.
Gelzinyte E, Wengert S, Stenczel T, Heenen H, Reuter K, Csanyi G, et al.
J Chem Phys
. 2023 Dec;
159(12).
PMID: 38127401
Predictive atomistic simulations are increasingly employed for data intensive high throughput studies that take advantage of constantly growing computational resources. To handle the sheer number of individual calculations that are...
3.
Vijay S, Heenen H, Singh A, Chan K, Voss J
J Comput Chem
. 2023 Nov;
45(9):546-551.
PMID: 38009447
Kinetic models parameterized by ab-initio calculations have led to significant improvements in understanding chemical reactions in heterogeneous catalysis. These studies have been facilitated by implementations which determine steady-state coverages and...
4.
Liu S, Vijay S, Xu M, Cao A, Prats H, Kastlunger G, et al.
J Chem Phys
. 2023 Aug;
159(8).
PMID: 37606330
Metal-water interfaces are central to understanding aqueous-phase heterogeneous catalytic processes. However, the explicit modeling of the interface is still challenging as it necessitates extensive sampling of the interfaces' degrees of...
5.
Gao H, Belova V, La Porta F, Cingolani J, Andersen M, Saedi M, et al.
Adv Sci (Weinh)
. 2022 Nov;
9(36):e2204684.
PMID: 36351774
Liquid metal catalysts have recently attracted attention for synthesizing high-quality 2D materials facilitated via the catalysts' perfectly smooth surface. However, the microscopic catalytic processes occurring at the surface are still...
6.
Govindarajan N, Kastlunger G, Heenen H, Chan K
Chem Sci
. 2022 Jan;
13(1):14-26.
PMID: 35059146
As we are in the midst of a climate crisis, there is an urgent need to transition to the sustainable production of fuels and chemicals. A promising strategy towards this...
7.
Heenen H, Gauthier J, Kristoffersen H, Ludwig T, Chan K
J Chem Phys
. 2020 Apr;
152(14):144703.
PMID: 32295363
Determining the influence of the solvent on electrochemical reaction energetics is a central challenge in our understanding of electrochemical interfaces. To date, it is unclear how well existing methods predict...
8.
Tiwari A, Heenen H, Bjornlund A, Maagaard T, Cho E, Chorkendorff I, et al.
J Phys Chem Lett
. 2020 Feb;
11(4):1450-1455.
PMID: 32022563
A critical step toward the systematic development of electrocatalysts is the determination of the microscopic structure and processes at the electrified solid/electrolyte interface. The major challenges toward this end for...
9.
Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics
Gauthier J, Dickens C, Heenen H, Vijay S, Ringe S, Chan K
J Chem Theory Comput
. 2019 Nov;
15(12):6895-6906.
PMID: 31689089
One of the major open challenges in ab initio simulations of the electrochemical interface is the determination of electrochemical barriers under a constant driving force. Existing methods to do so...
10.
Heenen H, Voss J, Scheurer C, Reuter K, Luntz A
J Phys Chem Lett
. 2019 Apr;
10(9):2264-2269.
PMID: 30995402
Antiperovskite glasses such as LiOCl and doped analogues have been proposed as excellent electrolytes for all-solid-state Li ion batteries (ASSB). Incorporating these electrolytes in ASSBs results in puzzling properties. This...