Results 231 to 240 of about 12,411,912 (281)

First-Principles Modeling of Charge Transfer Excitons in Organic Solar Cells. [PDF]

J Chem Theory Comput
Jindal V, Janik MJ, Milner ST.
europepmc   +1 more source

Phase Engineering of Atomically Precise Nanoclusters (APNCs) of Gold and Beyond

Advanced Materials, EarlyView.
Engineering the structural phase of materials is of paramount importance for both fundamental research and practical applications. In this Review, we summarize the recent progress in controlling the phases of atomically precise nanoclusters (APNCs) of gold, silver and copper, as well as bimetallic systems. The phase‐enabled material properties of APNCs
Yitong Wang, Avirup Sardar, Weijie Ji, Zhongyu Liu, Rongchao Jin   +4 more
wiley   +1 more source

Theoretical investigation of the adsorption and sensing behavior of cephapirin on transition metal doped gallium nitride single-walled nanotubes. [PDF]

Sci Rep
Edward EI, Chukwudubem CI, Edim MM, Runde M, Charlie DE, Bassey F.   +5 more
europepmc   +1 more source

Trions as Fundamental Species in Chemically Doped Polymer Semiconductors

Advanced Materials, EarlyView.
This work shows that exciton–charge carrier coupling in doped polymer semiconductors gives rise to multi‐particle states, including trions—quasiparticles consisting of two holes and one electron under p‐doping—and bound exciton‐hole pairs, as identified through spectroscopic and theoretical analysis.
Hongmo Li, Henry J. Kantrow, David A. Valverde‐Chávez, Meghan McNeil, Arianna Magni, Mohammad Balooch Qarai, Jude Kpare, Jaden Cramlet, Qiao He, Félix Thouin, Zhihao Feng, Yadong Zhang, Andrew Comstock, Stephen Barlow, Jason Azoulay, Seung Soon Jang, Renaud Demadrille, Martin Heeney, Seth Marder, Nicholas J. Hestand, Alberto Salleo, Frank C. Spano, Carlos Silva‐Acuña, Natalie Stingelin   +23 more
wiley   +1 more source

Multiscale investigation of CO₂ capture in 1,2,4-triazolium-based ionic liquids and porous copolymers using density functional theory and molecular dynamics.

Phys Chem Chem Phys
Anila S, Yuan J, Lyubartsev AP.
europepmc   +1 more source

Thermophysical Properties of [EMIM][SCN] in Hydroxy-Based Solvents: Combined Experimental and Theoretical Analysis. [PDF]

ACS Omega
Ahmad MR, Riyazuddeen, Alam MJ.
europepmc   +1 more source

Mechanistic insights into silver-doped gold clusters for advanced photonic and nonlinear optical response. [PDF]

RSC Adv
Hussain F, Hussain R, Irshad Z, Ayub K, Imran M, Ahmad M, Adnan M.   +6 more
europepmc   +1 more source

Quantum engineering design of Li, Na, Bi, and La-decorated Al₁₂N₁₂ nanocages from composite density functional theory perspective: toward tunable methimazole nanocarrier design for hyperthyroidism therapy. [PDF]

Nanoscale Adv
Gunawan U, Permana MR, Sudiarti T, Arif AR, Ivansyah AL.   +4 more
europepmc   +1 more source

From photoisomerization to logic operations: a theoretical study of pseudo-hemiindigo derivatives. [PDF]

Front Chem
Tzeliou CE, Tzeli D.
europepmc   +1 more source

Comparing Homodimer and Homotrimer Noncovalent Complexes Involving Coinage Metals: A Theoretical Perspective. [PDF]

Chemphyschem
Burguera S, Bauzá A.
europepmc   +1 more source