A molecular perspective of water at metal interfaces
J Carrasco, A Hodgson, A Michaelides - Nature materials, 2012 - nature.com
Water/solid interfaces are relevant to a broad range of physicochemical phenomena and
technological processes such as corrosion, lubrication, heterogeneous catalysis and …
technological processes such as corrosion, lubrication, heterogeneous catalysis and …
Artificial intelligence applied to battery research: hype or reality?
T Lombardo, M Duquesnoy, H El-Bouysidy… - Chemical …, 2021 - ACS Publications
This is a critical review of artificial intelligence/machine learning (AI/ML) methods applied to
battery research. It aims at providing a comprehensive, authoritative, and critical, yet easily …
battery research. It aims at providing a comprehensive, authoritative, and critical, yet easily …
First-principles and study of cerium oxides: Dependence on the effective U parameter
The electronic structure and properties of cerium oxides (Ce O 2 and Ce 2 O 3) have been
studied in the framework of the LDA+ U and GGA (PW 91)+ U implementations of density …
studied in the framework of the LDA+ U and GGA (PW 91)+ U implementations of density …
Dry Reforming of Methane on a Highly‐Active Ni‐CeO2 Catalyst: Effects of Metal‐Support Interactions on C−H Bond Breaking
Ni‐CeO2 is a highly efficient, stable and non‐expensive catalyst for methane dry reforming
at relative low temperatures (700 K). The active phase of the catalyst consists of small …
at relative low temperatures (700 K). The active phase of the catalyst consists of small …
Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding
The adsorption of aromatic molecules on metal surfaces plays a key role in condensed
matter physics and functional materials. Depending on the strength of the interaction …
matter physics and functional materials. Depending on the strength of the interaction …
[HTML][HTML] Chimeric antigen receptor-T cells for targeting solid tumors: current challenges and existing strategies
L Springuel, C Lonez, B Alexandre, E Van Cutsem… - BioDrugs, 2019 - Springer
Chimeric antigen receptor-T cells (CAR-Ts) are an exciting new cancer treatment modality
exemplified by the recent regulatory approval of two CD19-targeted CAR-T therapies for …
exemplified by the recent regulatory approval of two CD19-targeted CAR-T therapies for …
[HTML][HTML] Atomic-level energy storage mechanism of cobalt hydroxide electrode for pseudocapacitors
Cobalt hydroxide is a promising electrode material for supercapacitors due to the high
capacitance and long cyclability. However, the energy storage/conversion mechanism of …
capacitance and long cyclability. However, the energy storage/conversion mechanism of …
A one-dimensional ice structure built from pentagons
J Carrasco, A Michaelides, M Forster, S Haq, R Raval… - Nature materials, 2009 - nature.com
Heterogeneous ice nucleation has a key role in fields as diverse as atmospheric chemistry
and biology. Ice nucleation on metal surfaces affords an opportunity to watch this process …
and biology. Ice nucleation on metal surfaces affords an opportunity to watch this process …
Ultrahigh performance all solid-state lithium sulfur batteries: salt anion's chemistry-induced anomalous synergistic effect
With a remarkably higher theoretical energy density compared to lithium-ion batteries (LIBs)
and abundance of elemental sulfur, lithium sulfur (Li–S) batteries have emerged as one of …
and abundance of elemental sulfur, lithium sulfur (Li–S) batteries have emerged as one of …
Comprehensive intrametastatic immune quantification and major impact of immunoscore on survival
B Mlecnik, M Van den Eynde, G Bindea… - JNCI: Journal of the …, 2018 - academic.oup.com
Background This study assesses how the metastatic immune landscape is impacting the
response to treatment and the outcome of colorectal cancer (CRC) patients. Methods …
response to treatment and the outcome of colorectal cancer (CRC) patients. Methods …