Inorganic–organic interfaces in hybrid solar cells

J Niederhausen, KA Mazzio… - Electronic …, 2021 - iopscience.iop.org
In this review, we present important concepts to describe inorganic–organic interfaces in
hybrid solar cells. We discuss the formation of hybrid interfaces, provide an introduction to …

Why are polar surfaces of ZnO stable?

D Mora-Fonz, T Lazauskas, MR Farrow… - Chemistry of …, 2017 - ACS Publications
We probe and rationalize the complex surface chemistry of wurtzite ZnO by employing
interatomic potential calculations coupled with a Monte Carlo procedure that sampled over …

Screening nature of the van der Waals density functional method: A review and analysis of the many-body physics foundation

P Hyldgaard, Y Jiao, V Shukla - Journal of Physics: Condensed …, 2020 - iopscience.iop.org
We review the screening nature and many-body physics foundation of the van der Waals
density functional (vdW-DF) method [Berland K et al 2015 Rep. Prog. Phys. 78 066501], a …

A theoretical guide for screening ionic liquid extractants applied in the separation of a binary alcohol-ester azeotrope through a DFT method

H Li, P Zhou, J Zhang, D Li, X Li, X Gao - Journal of Molecular Liquids, 2018 - Elsevier
Although imidazolium-based ionic liquids (ILs) serve as potential extractants in the
separation of a binary alcohol-ester azeotrope through extractive distillation, the interaction …

Microfluidic-enhanced 3-D photoanodes with free interfacial energy barrier for photoelectrochemical applications

Z Gu, X An, H Lan, Y Tian, J Zhang, R Liu, H Liu… - Applied Catalysis B …, 2019 - Elsevier
The sluggish reaction kinetics and poor interfacial mass transfer seriously limit the industrial
applications of planar photoelectrocatalytic devices. Here, the principle of 3-D flow-through …

Dynamic photoswitching of electron energy levels at hybrid ZnO/organic photochromic molecule junctions

Q Wang, G Ligorio, V Diez‐Cabanes… - Advanced Functional …, 2018 - Wiley Online Library
The functionality of interfaces in hybrid inorganic/organic (opto) electronic devices is
determined by the alignment of the respective frontier energy levels at both sides of the …

In situ observation of H2 dissociation on the ZnO (0001) surface under high pressure of hydrogen using ambient-pressure XPS

BS Mun, Z Liu, MA Motin, PC Roy, CM Kim - international journal of …, 2018 - Elsevier
The interaction of H 2 molecules with a ZnO (0001) single crystal surface has been studied
over a wide pressure (10− 6–0.25 Torr) and temperature (300–600 K) range using ambient …

Friends or strangers? Attempts at reactivating buyer–supplier relationships

L Poblete, A Bengtson - Journal of Business & Industrial Marketing, 2021 - emerald.com
Purpose The purpose of this paper is to explore an important management aspect of
business relationship dynamics, namely, the reactivation process of previously ended buyer …

Extent of Fock-exchange mixing for a hybrid van der Waals density functional?

Y Jiao, E Schröder, P Hyldgaard - The Journal of Chemical Physics, 2018 - pubs.aip.org
The vdW-DF-cx0 exchange-correlation hybrid design [K. Berland et al., J. Chem. Phys. 146,
234106 (2017)] has a truly nonlocal correlation component and aims to facilitate concurrent …

Defect evolution in ZnO and its effect on radiation tolerance

J Lv, X Li - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
The origin of ZnO radiation resistance is fascinating but still unclear. Herein, we found that
radiation tolerance of ZnO can be tuned by engineering intrinsic defects into the ZnO. The …