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- Currently displaying 1 - 20 of 256 publications
Local probing of the nanoscale hydration landscape of kaolinite basal facets in the presence of ions
– Materials Today Physics
(2024)
46,
101504
(doi: 10.1016/j.mtphys.2024.101504)
Control of proton transport and hydrogenation in double-gated graphene.
– Nature
(2024)
630,
619
(doi: 10.1038/s41586-024-07435-8)
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters
– J Chem Theory Comput
(2024)
20,
5306
(doi: 10.1021/acs.jctc.4c00379)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water.
– Journal of Physical Chemistry Letters
(2024)
15,
6081
(doi: 10.1021/acs.jpclett.4c01030)
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes.
– Nano Letters
(2024)
24,
5024
(doi: 10.1021/acs.nanolett.4c00890)
Dynamics and nano-rheology of interfacial water: general discussion
– Faraday Discussions
(2024)
249,
243
(doi: 10.1039/d3fd90064a)
The limit of macroscopic homogeneous ice nucleation at the nanoscale.
– Faraday Discuss
(2024)
249,
210
(doi: 10.1039/d3fd00099k)
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts
– Nature Chemistry
(2024)
16,
749
(doi: 10.1038/s41557-023-01424-6)
Origin of dielectric polarization suppression in confined water from first principles.
– Chemical Science
(2023)
15,
516
(doi: 10.1039/d3sc04740g)
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments.
– Journal of the American Chemical Society
(2023)
145,
25372
(doi: 10.1021/jacs.3c09616)
Mesoscale Simulations Reveal How Salt Influences Clay Particles Agglomeration in Aqueous Dispersions.
– Journal of chemical theory and computation
(2023)
20,
1612
(doi: 10.1021/acs.jctc.3c00719)
Supercomputing modelling of advanced materials: Preface
– Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
(2023)
381,
20220252
(doi: 10.1098/rsta.2022.0252)
Considerably Increased Dynamics of CO-Water Complexes over CO and Water Alone.
– Nano Letters
(2023)
23,
4793
(doi: 10.1021/acs.nanolett.3c00158)
pH-dependent water permeability switching and its memory in MoS2 membranes.
– Nature
(2023)
616,
719
(doi: 10.1038/s41586-023-05849-4)
Mechanisms of adsorbing hydrogen gas on metal decorated graphene
– Physical Review Materials
(2023)
7,
035402
Hydration at Highly Crowded Interfaces
– Physical Review Letters
(2023)
130,
106202
Medium-density amorphous ice
– Science (New York, N.Y.)
(2023)
379,
474
(doi: 10.1126/science.abq2105)
Classical Quantum Friction at Water–Carbon Interfaces
– Nano letters
(2023)
23,
580
(doi: 10.1021/acs.nanolett.2c04187)