Cited by Visualizing charge transfer and nuclear quantum effects in the hydrogen bond network of water

Dissecting the hydrogen bond network of water: Charge transfer and nuclear quantum effects DOI

Mischa Flór, David M. Wilkins, Miguel de la Puente

et al.

Science, Journal Year: 2024, Volume and Issue: 386(6726)

Published: Oct. 24, 2024

The molecular structure of water is dynamic, with intermolecular hydrogen (H) bond interactions being modified by both electronic charge transfer and nuclear quantum effects (NQEs). Electronic NQEs potentially change under acidic or basic conditions, but such details have not been measured. In this work, we developed correlated vibrational spectroscopy, a symmetry-based method that separates interacting from noninteracting molecules in self- cross-correlation spectra, giving access to previously inaccessible information. We found hydroxide (OH − ) donated ~8% more negative the H network water, hydronium (H 3 O + accepted ~4% less water. Deuterium oxide (D 2 O) had ~9% bonds compared O), solutions displayed dominant than ones.

Language: Английский

Citations

Subnanometric Nickel Phosphide Heteroclusters with Highly Active Ni^δ+–P^δ− Pairs for Nitrate Reduction toward Ammonia DOI

Qi Hu, Chunyan Shang, Xinbao Chen

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: March 26, 2025

The development of efficient electrocatalysts for the neutral nitrate reduction reaction (NO3–RR) toward ammonia (NH3) is essential to address environmental issues caused by NO3– but remains considerably challenging owing sluggish kinetics NO3–RR in media. Herein, we report subnanometric heteroclusters with strongly coupled nickel–phosphorus (Ni–P) dual-active sites as boost NO3–RR. Experimental and theoretical results reveal that feature Ni–P promotes electron transfer from Ni P, generating Niδ+–Pδ− active pairs, which Niδ+ species are highly Pδ− tunes interfacial water hydrogen bonding network promote dissociation step accelerate proton during Consequently, NO3–RR, exhibit a large NH3 yield rate 0.61 mmol h–1 cm–2 at −0.8 V versus reversible electrode, 2.8- 3.3-fold larger than those on nanoparticles clusters, respectively, generated exists NH4+ electrolytes. This study offers an approach boosting electrocatalytic reactions multiple intermediates designing sites.

Language: Английский

Citations

Bimetallic Phthalocyanine Catalyst for Ammonia Electrosynthesis from Nitrate Reduction across All pH Ranges DOI

Junyuan Feng,

Qikun Hu,

Yue Xian

et al.

Applied Catalysis B Environment and Energy, Journal Year: 2025, Volume and Issue: 366, P. 125027 - 125027

Published: Jan. 5, 2025

Language: Английский

Citations

Selective separation of arsenic and antimony enabled by desolvation effect during distillation process: chlorine/oxygen affinity mechanism DOI

Junfeng Kong,

Huazhen Cao,

Wenhua Xu

et al.

Separation and Purification Technology, Journal Year: 2025, Volume and Issue: unknown, P. 131829 - 131829

Published: Jan. 1, 2025

Language: Английский

Citations

Superhydrophobic, Conductive and Magnetic Sponge for High Performance Oil-water Separation and Recycled Oil Absorption DOI

Yuzhe Zhang,

Changqing Wu,

Siyu Wu

et al.

Journal of environmental chemical engineering, Journal Year: 2024, Volume and Issue: unknown, P. 114943 - 114943

Published: Nov. 1, 2024

Language: Английский

Citations

pK_a Matching Enables Quantum Proton Delocalization in Acid-1-Methylimidazole Binary Mixtures DOI

Rui Zhang,

D Ye,

Anit Gurung

et al.

Journal of Chemical Information and Modeling, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 7, 2025

Short hydrogen bonds (SHBs), characterized by donor–acceptor heteroatom separations below 2.7 Å, are prevalent in condensed-phase systems. Recently, we identified SHBs nonaqueous binary mixtures of acetic acid and 1-methylimidazole (MIm), where electronic nuclear quantum effects facilitate extensive proton delocalization. In this work, explore the conditions favoring SHB formation acid–base propose that difference pKa values between base, measured a nonaqueous, aprotic solvent like DMSO, is key determinant. Using MIm as model perform structure calculations to systematically analyze matching across 97 acid-MIm pairs DMSO solutions. Through combination first-principles simulations infrared spectroscopy, confirm delocalization protons benzoic salicylic mixtures. Our results demonstrate can significantly alter behavior systems, transforming interactions from conventional transfer mechanical This work establishes valuable alternative water for assessing highlights importance bond networks modulating these conditions. By elucidating impact effects, our provides insights designing organic leverage advanced material applications.

Language: Английский

Citations

Water’s hydrogen bonds are seen like never before DOI

Alex Lopatka

Physics Today, Journal Year: 2025, Volume and Issue: 2025(02)

Published: Feb. 12, 2025

Citations

Passively Q-Switched 2.79-Μm Er, Cr: Ysgg Laser Based on Pure Water Saturable Absorber DOI

Yinze Wang,

Lei Huang,

Hanwei Kong

et al.

Published: Jan. 1, 2025

Language: Английский

Citations

•OH Dominates the Dark Oxidation of Elemental Mercury at the Liquid–Ice Interface during Environmentally Relevant Freeze–Thaw Cycles DOI

Yingying Fang,

Qingyuan Song,

Qingqing Yang

et al.

Environmental Science & Technology Letters, Journal Year: 2025, Volume and Issue: unknown

Published: April 3, 2025

Language: Английский

Citations

Crystal OH boosting piezocatalytic H2O2 synthesis by Bi3O(PO4)2OH from pure water for atrazine degradation DOI

Qintian Peng,

Hailin Tian,

Houle Zhou

et al.

Separation and Purification Technology, Journal Year: 2025, Volume and Issue: unknown, P. 132786 - 132786

Published: April 1, 2025

Language: Английский

Citations