Semimetallicity and Negative Differential Resistance from Hybrid Halide Perovskite Nanowires

Abstract

In the rapidly progressing field of organometal halide perovskites, the dimensional reduction can open up new opportunities for device applications. Herein, taking the recently synthesized trimethylsulfonium lead triiodide (CH 3 ) 3 SPbI 3 perovskite as a representative example, first-principles calculations are carried out and the nanostructuring and device application of halide perovskite nanowires are studied. It is found that the 1D (CH 3 ) 3 SPbI 3 structure is structurally stable, and the electronic structures of higherdimensional forms are robustly determined at the 1D level. Remarkably, due to the face-sharing [PbI 6 ] octahedral atomic structure, the organic ligandremoved 1D PbI 3 frameworks are also found to be stable. Moreover, the PbI 3 columns avoid the Peierls distortion and assume a semimetallic character, contradicting the conventional assumption of semiconducting metal-halogen inorganic frameworks. Adopting the bundled nanowire junctions consisting of (CH 3 ) 3 SPbI 3 channels with sub-5 nm dimensions sandwiched between PbI 3 electrodes, high current densities and large room-temperature negative differential resistance (NDR) are finally obtained. It will be emphasized that the NDR originates from the combination of the near-Ohmic character of PbI 3 -(CH 3 ) 3 SPbI 3 contacts and a novel NDR mechanism that involves the quantum-mechanical hybridization between channel and electrode states. This work demonstrates the great potential of low-dimensional hybrid perovskites toward advanced electronic devices beyond actively pursued photonic applications.

Strain-Induced Metallization and Defect Suppression at Zipper-like Interdigitated Atomically Thin Interfaces Enabling High-Efficiency Halide Perovskite Solar Cells

“…More computational details can be found in our previous reports. [54][55][56] Fabrication of perovskite solar cell devices. The FTOetched glasses have been cleaned sequentially with DI water, ethanol and acetone for 15 minutes by using the ultrasonic bath.…”

Quantum hybridization negative differential resistance from non-toxic halide perovskite nanowire heterojunctions and its strain control

“…Recently, we predicted that the one-dimensional (1D) inorganic lead triiodide (PbI 3 ) framework derived from the trimethylsulfonium lead triiodide (CH 3 ) 3 SPbI 3 (TMSPbI 3 ) perovskite by removing TMS ligands should be semimetallic, rendering it a promising electrode material [ 6 ]. Moreover, in view of realizing advanced multi-valued logic devices [ 7 – 9 ], we predicted large room-temperature negative differential resistance (NDR) with high peak-to-valley ratios and current densities can be derived from PbI 3 -TMSPbI 3 -PbI 3 heterojunction tunneling devices [ 6 ]. However, as in the case for solar cell applications [ 10 – 13 ], the toxicity of Pb-based halide perovskites could potentially become the bottleneck for its commercialization.…”

“…Importantly, we also demonstrate the NDR performances are robustly preserved even after uniaxial strains are applied along the GeI 3 -TMSGeI 3 -GeI 3 heterojunction column direction, and particularly under a 4% compressive strain NDR metrics can be further enhanced to the enormous NDR peak current density of 5300 kA·cm -2 and PVRs of 87. It will be emphasized that these superb NDR characteristics originate from the quantum hybridization NDR mechanism [ 6 , 14 ].…”

Influence of Parasitic Effects in Negative Differential Resistance Characteristics of Resonant Tunneling

“…The explorations of the NDR phenomenon in GaAs/Al x Ga 1-x As resonant devices have been proposed in literatures Ref. [7,8]. The tunneling phenomenon was subsequently studied in Ref.…”

“…Dimensional researches on the shrunken RTPD structure including one dimension, two dimensions and three dimensions were also proposed as presented in Ref. [7][8][9]. The doping mechanism of the quantum wells and quantum barriers in the RTPD semiconductor heterostructure has also been as the subjects of experimental and theoretical studies.…”