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Roland J-M Pellenq

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Articles 52
Citations 238
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Gao Y, Tao Y, Li G, Shen P, Pellenq R, Poon C
Proc Natl Acad Sci U S A . 2025 Jan; 122(1):e2418239121. PMID: 39793077
CO mineralization, a process where CO reacts with minerals to form stable carbonates, presents a sustainable approach for CO sequestration and mitigation of global warming. While the crucial role of...
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Li G, Tao Y, Zhu X, Gao Y, Shen P, Yin B, et al.
Nat Commun . 2024 Dec; 15(1):10790. PMID: 39738086
The feasibility of carbon mineralization relies on the carbonation efficiency of CO-reactive minerals, which is largely governed by the water content and state within material mesopores. Yet, the pivotal role...
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Zhu X, Dupuis R, Pellenq R, Ioannidou K
J Chem Phys . 2024 Nov; 161(18). PMID: 39526736
The carbonation reaction is essential in the global carbon cycle and in the carbon dioxide (CO2) capture. In oceans (pH 8.1) or in synthetic materials such as cement or geopolymers...
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Hakim K, Dupuis R, Bichara C, Pellenq R
J Chem Phys . 2024 Sep; 161(9). PMID: 39225521
Although widely studied experimentally in the 1990s, the structure and properties of low-dimensional or high-pressure phases of fullerenes have recently been re-examined. Remarkably, recent experiments have shown that transparent, nearly...
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Futamura R, Iiyama T, Ueda T, Bonnaud P, Coudert F, Furuse A, et al.
Nat Commun . 2024 Apr; 15(1):3585. PMID: 38678034
Graphene oxide (GO) is the one of the most promising family of materials as atomically thin membranes for water-related molecular separation technologies due to its amphipathic nature and layered structure....
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Brugger A, Bilheux H, Lin J, Nelson G, Kiss A, Morris J, et al.
Rev Sci Instrum . 2023 May; 94(5). PMID: 37171234
The Oak Ridge National Laboratory is planning to build the Second Target Station (STS) at the Spallation Neutron Source (SNS). STS will host a suite of novel instruments that complement...
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Zhu H, Whittle A, Pellenq R
Langmuir . 2022 Oct; 38(43):13065-13074. PMID: 36264040
Bottom-up modeling of clay behavior from the molecular scale requires a detailed understanding of the free energy between pairs of clay platelets. We investigate the potential of mean force (PMF)...
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Dragulet F, Goyal A, Ioannidou K, Pellenq R, Del Gado E
J Phys Chem B . 2022 Jun; 126(26):4977-4989. PMID: 35731697
Ion specificity and related Hofmeister effects, which are ubiquitous in aqueous systems, can have spectacular consequences in hydrated clays, where ion-specific nanoscale surface forces can determine large-scale cohesive swelling and...
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Dupuis R, Valdenaire P, Pellenq R, Ioannidou K
Proc Natl Acad Sci U S A . 2022 Apr; 119(17):e2121945119. PMID: 35439053
SignificanceNanoporous carbon texture makes fundamental understanding of the electrochemical processes challenging. Based on density functional theory (DFT) results, the proposed atomistic approach takes into account topological and chemical defects of...