Engineering efficient perovskite solar cells: Predicting the role of Mn3O4 hole transport layers through DFT, device simulation, and machine learning

Cross-validatory choice and assessment of statistical predictions

10.1111/j.2517-6161.1974.tb00994.x · doi-reference

Theoretical analysis on the effect of band offsets in perovskite solar cells

10.1016/j.solmat.2014.10.036 · doi-reference

The role of the interfaces in perovskite solar cells

10.1002/admi.201901469 · doi-reference

Energy level alignment at interfaces in metal halide perovskite solar cells

10.1002/admi.201800260 · doi-reference

Investigation of effect of doping in perovskite solar cells: a numerical simulation approach

10.1016/j.matpr.2022.10.006 · doi-reference

First-principles study on photovoltaic properties of two-dimensional Cs₂PbI₄–black phosphorus heterojunctions

10.1088/1361-648x/ab6d8f · doi-reference

Two-dimensional perovskite/HfS₂ van der Waals heterostructure as an absorber material for photovoltaic applications

10.1021/acsaem.1c03796 · doi-reference

Elucidating atomic structure and reconstruction of the Mn₃O₄(001) surface

10.1016/j.apsusc.2024.161339 · doi-reference

First-principles study of zinc phthalocyanine molecules adsorbed on methylammonium lead iodide surfaces

10.1021/acs.jpcc.9b10664 · doi-reference

Growth and interfacial structure of methylammonium lead iodide thin films on Au(111)

10.1016/j.susc.2016.09.004 · doi-reference

Atomic structures of CH₃NH₃PbI₃(001) surfaces

10.1021/acsnano.5b06420 · doi-reference

Density functional theory applied to magnetic materials: Mn₃O₄ at different hybrid functionals

10.1016/j.jmmm.2015.04.091 · doi-reference

Facile synthesis and optical band gap calculation of Mn₃O₄ nanoparticles

10.1016/j.matchemphys.2012.09.068 · doi-reference

Ground-state properties of multivalent manganese oxides: density functional and hybrid density functional calculations

10.1103/physrevb.75.195128 · doi-reference

A DFT study of Mn₃O₄ hausmannite thin films supported on coinage metals

10.1016/j.apsusc.2022.155920 · doi-reference

The influence of iron substitution on the magnetic properties of hausmannite, Mn²⁺(Fe,Mn)₂³⁺O₄

10.2138/am-1998-7-810 · doi-reference

Stability, structural and electronic properties of hausmannite (Mn₃O₄) surfaces and their interaction with water

10.1021/acs.jpcc.8b06201 · doi-reference

Charge collection in hybrid perovskite solar cells: relation to the nanoscale elemental distribution

10.1109/jphotov.2016.2633801 · doi-reference

Interconnection optimization for highly efficient perovskite modules

10.1109/jphotov.2016.2626144 · doi-reference

The PseudoDojo: training and grading an 85-element optimized norm-conserving pseudopotential table

10.1016/j.cpc.2018.01.012 · doi-reference

The electronic structure of structurally strained Mn₃O₄ postspinel and the relationship with Mn₃O₄ spinel

10.7566/jpsj.84.114702 · doi-reference

Semiempirical GGA-type density functional constructed with a long-range dispersion correction

10.1002/jcc.20495 · doi-reference

Generalized gradient approximation made simple

10.1103/physrevlett.77.3865 · doi-reference

QuantumATK: an integrated platform of electronic and atomic-scale modelling tools

10.1088/1361-648x/ab4007 · doi-reference

Ecofriendly Mn₃O₄ as a novel hole transport material for efficient and ultrastable flexible and rigid perovskite solar cells

10.1021/acssuschemeng.3c04833 · doi-reference

Improved photovoltaic performance of polymer/Mn₃O₄ solar cells decorated with reduced graphene oxide

10.1007/s10854-025-16382-7 · doi-reference

TK. Role of ammonia and urea in comparing the functional properties of precipitated spinel Mn₃O₄ nanomaterials

10.1016/j.scowo.2026.100199 · doi-reference

Perovskite solar cells: progress, challenges, and future avenues to clean energy

10.1016/j.solener.2024.113205 · doi-reference

Composition engineering of Cu₂ZnGeₓSn₁₋ₓS₄ nanoparticle hole transport layers for carbon-electrode-based perovskite solar cells

10.1039/d4ta07106a · doi-reference

Cu₂ZnGeS₄ as a novel hole transport material for carbon-based perovskite solar cells with power conversion efficiency above 18%

10.1016/j.cej.2022.140146 · doi-reference

Hydrophobic Cu₂O quantum dots enabled by surfactant modification as top hole-transport materials for efficient perovskite solar cells

10.1002/advs.201801169 · doi-reference

Over 20% PCE perovskite solar cells with superior stability achieved by novel and low-cost hole-transporting materials

10.1016/j.nanoen.2017.09.035 · doi-reference

An inorganic hole conductor for organo-lead halide perovskite solar cells: improved hole conductivity with copper iodide

10.1021/ja411014k · doi-reference

High-performance planar perovskite solar cells using a low-temperature, solution-combustion-based nickel oxide hole-transporting layer with efficiency exceeding 20

10.1002/aenm.201703432 · doi-reference

Robust inorganic hole transport materials for organic and perovskite solar cells: insights into materials electronic properties and device performance

10.1002/solr.202000555 · doi-reference

Recent progress of inorganic hole transport materials for efficient and stable perovskite solar cells

10.1002/nano.202000238 · doi-reference

Directly purifiable pre-oxidation of Spiro-OMeTAD for stability-enhanced perovskite solar cells with efficiency over 23

10.1016/j.cej.2022.135457 · doi-reference

Organic hole-transport layers for efficient, stable, and scalable inverted perovskite solar cells

10.1002/adma.202203794 · doi-reference

Impacts of the electron transport layer surface reconstruction on the buried interface in perovskite optoelectronic devices

10.1021/acs.jpclett.1c03565 · doi-reference

Organometallic halide perovskites: sharp optical absorption edge and its relation to photovoltaic performance

10.1021/jz500279b · doi-reference