Over 19% Efficiency Organic Solar Cells by Regulating Multidimensional Intermolecular Interactions
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202208986
Abstract: Research on organic solar cells (OSCs) has progressed through material innovation and device engineering. However, well‐known and ubiquitous intermolecular interactions, and particularly their synergistic effects, have received little attention. Herein, the complicated relationship between photovoltaic… read more here.
Keywords: organic solar; series; multidimensional intermolecular; solar cells ... See more keywords
High‐Contrast Polymorphic Luminogen Formed through Effect of Tiny Differences in Intermolecular Interactions on the Intramolecular Charge Transfer Process
Sign Up to like & getrecommendations! Published in 2020 at "Advanced Optical Materials"
DOI: 10.1002/adom.202000436
Abstract: Polymorphic luminogens provide the opportunity to disclose relation between the packing patterns and performance of luminogen and facilitate design of high performance luminogens. However, the effect of intramolecular charge transfer (ICT) is seldom used to… read more here.
Keywords: intramolecular charge; intermolecular interactions; differences intermolecular; process ... See more keywords
Tailoring Intermolecular Interactions Towards High‐Performance Thermoelectric Ionogels at Low Humidity
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Science"
DOI: 10.1002/advs.202201075
Abstract: Development of ionic thermoelectric (iTE) materials is of immense interest for efficient heat‐to‐electricity conversion due to their giant ionic Seebeck coefficient (Si), but challenges remain in terms of relatively small Si at low humidity, poor… read more here.
Keywords: humidity; polyethylene oxide; interactions towards; low humidity ... See more keywords
Controlling Electrolyte Properties and Redox Reactions Using Solvation and Implications in Battery Functions: A Mini‐Review
Sign Up to like & getrecommendations! Published in 2023 at "Advanced Energy Materials"
DOI: 10.1002/aenm.202204094
Abstract: Electrolytes will play a central role in the development of next‐generation batteries with increased energy density and cycle life and reduced cost. While molecular designs can enable electrolytes with favorable properties like increased (electro)chemical stability,… read more here.
Keywords: battery functions; mini review; intermolecular interactions; electrolyte ... See more keywords
Influence of Intermolecular Interactions on the Photophysical Properties of Carbazolyl Phosphorescent Molecules
Sign Up to like & getrecommendations! Published in 2024 at "Annalen der Physik"
DOI: 10.1002/andp.202400253
Abstract: The photophysical properties of three carbazolyl phosphorescent molecules with similar structures‐5‐(9H‐carbazole‐9‐group) nicotinitrile (P35N), 5‐(9H‐carbazole‐9‐group) nicotinamide (P35M) and 2‐(9H‐carbazole‐9‐group) isonicotinamide (P25M)‐are investigated theoretically. The influence on luminescence is primarily elucidated through an analysis of geometry, electronic… read more here.
Keywords: influence intermolecular; carbazole group; intermolecular interactions; phosphorescent molecules ... See more keywords
Difluorinated Cyclohexanes: Energetics and Intra‐ and Intermolecular Interactions
Sign Up to like & getrecommendations! Published in 2025 at "Chemphyschem"
DOI: 10.1002/cphc.202500648
Abstract: Fluorinated cyclohexanes are essential building blocks for high‐performance molecules, including ion carriers and liquid crystals. This quantum‐chemical study evaluates the relative energies of all difluorinated cyclohexane isomers, highlighting key intramolecular interactions as thermodynamic modulators. The… read more here.
Keywords: cyclohexanes energetics; intra intermolecular; difluorinated cyclohexanes; intermolecular interactions ... See more keywords
Intermolecular interactions in group 14 hydrides: Beyond CH···HC contacts
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.25432
Abstract: In line with previous work in which we established the factors that enhance attractive CH···HC dihydrogen interactions in alkanes, an extended theoretical analysis of noncovalent intermolecular interactions in group 14 hydrides is presented here. Remarkably,… read more here.
Keywords: group hydrides; interactions group; group; beyond contacts ... See more keywords
Role of Intermolecular Interactions in the Catalytic Reaction of Formic Acid on Cu(111).
Sign Up to like & getrecommendations! Published in 2021 at "Small"
DOI: 10.1002/smll.202008010
Abstract: Formic acid (HCOOH) can be catalytically decomposed into H2 and CO2 and is a promising hydrogen storage material. As H2 production catalysts, Cu surfaces allow selective HCOOH decarboxylation; however, the on-surface HCOOH decomposition reaction pathway… read more here.
Keywords: microscopy; role intermolecular; formic acid; reaction ... See more keywords
Regulated Crystallization Through Intermolecular Interactions Bridging for Efficient Tin-Based Perovskite Solar Cells.
Sign Up to like & getrecommendations! Published in 2024 at "Small"
DOI: 10.1002/smll.202408302
Abstract: Tin halide perovskite (THP) has emerged as a promising lead-free material for high-performance solar cells, attracting significant attention for their potential use for energy conversion. However, the rapid crystallization of THP due to its high… read more here.
Keywords: crystallization; regulated crystallization; solar cells; intermolecular interactions ... See more keywords
Locality and strength of intermolecular interactions in organic crystals: using conceptual density functional theory (CDFT) to characterize a highly polymorphic system
Sign Up to like & getrecommendations! Published in 2019 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-019-2508-0
Abstract: Intermolecular interactions of seven polymorphs of a model organic compound were elucidated through electronic structure-based local descriptors, derived from conceptual density functional theory, and their correlations with interaction energies. Visual and statistical analyses were conducted… read more here.
Keywords: density functional; strength intermolecular; intermolecular interactions; functional theory ... See more keywords
H2-quartz and cushion gas-quartz intermolecular interactions: implications for hydrogen geo-storage in sandstone reservoirs
Sign Up to like & getrecommendations! Published in 2024 at "Adsorption"
DOI: 10.1007/s10450-024-00450-1
Abstract: Emissions of carbon dioxide (CO2) from fossil fuel usage continue to be an incredibly challenging problem to the attainment of CO2 free global economy; carbon Capture and Storage (CCS) and the substitution of fossil fuel… read more here.
Keywords: cushion gas; co2; storage; intermolecular interactions ... See more keywords