CO₂ Reduction Mechanism on the Pb(111) Surface: Effect of Solvent and Cations

The Pb electrode is the most efficient and selective catalyst in reducing CO₂ into HCOOH; however, the reaction mechanism remains elusive. Herein, we have investigated the mechanism of CO₂ electroreduction to HCOOH on the Pb(111) surface using density functional theory calculations. We find that the effects of solvation and cations lead to different active intermediates for CO₂ electroreduction (HCOO in gas-phase condition, both HCOO and COOH in solvent condition, and COOH in cation solution). In particular, the size and hydrophilic/hydrophobic nature of the cations are found to significantly affect the reaction selectivity and efficiency of CO₂ electroreduction at different overpotentials. These findings rationalize several experimental observations and contribute to a thorough understanding of CO₂ electroreduction

Evolution of Water Structures on Stepped Platinum Surfaces

Water/solid interfaces are relevant and have been studied extensively, however, with little understanding on stepped surfaces. We use a genetic algorithm method on top of density functional theory to determine water structures on Pt(221) and (553) surfaces. By including screened van der Waals (vdW) forces, we uncover a series of novel one- (1D) and two-dimensional (2D) water structures, which are essentially determined by the atomic geometry of Pt surfaces. We find that, with increasing water coverage, water–metal vdW interactions, water–metal electrostatic interactions, and water–water interactions in turn dictate the evolution of water structures. In particular, the step feature provides the templating effects for the formation of 1D water chains by modulating water–metal interactions, whereas the terrace is crucial to the formation of 2D water networks by altering H-bonds. These findings rationalize several key experimental observations and provide critical clues for understanding water/solid interfaces

Additional file 3 of Postoperative awake prone position in geriatric patients with hip fractures: a protocol for a randomized controlled trial on the efficacy of postoperative prone position in reducing pulmonary complications and improving oxygenation

Additional file 3. Postoperative respiratory failure risk index

Additional file 1 of Postoperative awake prone position in geriatric patients with hip fractures: a protocol for a randomized controlled trial on the efficacy of postoperative prone position in reducing pulmonary complications and improving oxygenation

Additional file 1. SPIRIT Checklist for Trials

Additional file 4 of Postoperative awake prone position in geriatric patients with hip fractures: a protocol for a randomized controlled trial on the efficacy of postoperative prone position in reducing pulmonary complications and improving oxygenation

Additional file 4. Postoperative pneumonia risk index

Additional file 2 of Postoperative awake prone position in geriatric patients with hip fractures: a protocol for a randomized controlled trial on the efficacy of postoperative prone position in reducing pulmonary complications and improving oxygenation

Additional file 2. Clinical pulmonary infection score (CPIS)