Institute of Chemistry, Academia Sinica – Research

Directions

The research thrusts of the Institute are currently grouped along three major directions: materials chemistry, chemical synthesis and catalysis, and chemical biology. The current topics of materials sector include organic electroluminescent materials and devices, organic field-effect transistor materials and devices, photovoltaic materials and devices. The chemical catalysis and synthesis sector is focusing on the development of new synthetic methodology, drug discovery, carbohydrate chemistry, and the development of new catalytic systems for the generation of renewal energies and green fuels. The chemical biology program has made important advances in the delineation of bio-macromolecular structures and the development of new analytical platforms for disease detection and diagnosis.

Materials Chemistry: Organic Electronic and Optoelectronic Materialsy

Applications of organic optoelectronic materials and molecular engineering of nanomaterials are two major research directions under the materials division. Noticeable results include developments of blue fluorescent molecular materials for high performance organic light-emitting diodes, rational design of field-effective organic memory devices based on pentacene and gold nanoparticles, the very first stable organic thin film transistor based on single crystal of hexacene, rare single-walled metal–organic nanotube (MONT) with a large exterior wall diameter, the applications of metal-organic framework as optoelectronic materials, and a number of high performance materials for efficient solar energy harvesting devices such as dye-sensitized solar cells, perovskite solar cells, or organic photovoltaics. Researchers in this sector also develop stimuli-responsive materials, core-shell nanomaterials, and biomaterials. A recent report shows that a cell membrane–mimicking conducting polymer is capable to integrate biochemical and electrical stimulation to promote neural cellular behavior with great enhancement of neurite outgrowth on this conducting polymer.

Chemical Catalysis and Synthesis: Green Catalysis and Synthetic Methodology

In response to the increasingly demands of sustainable fuel and green synthetic technology, researchers in the organic synthesis and chemical catalysis divisions have strived to advance the development of cutting-edge technology for chemical transformations. The synthetic chemistry division of this sector focuses on the advances of synthetic methodology and drug discovery. The research topics under catalysis division is reconciling to catalysis relating to renewable energy. Major research directions in this sector include: (1) synthetic methodology: silyl ethers for hydroxy- directed nucleophilic acyl alkylation, microwave-assisted carbohydrate synthesis, smart fluorescent probes for bioorthogonal sugar labeling; (2) coordination chemistry: approaching unconventional catalysis via amino-NHC and carbodicarbene, unconventional porphyrin complexes for small molecule activations, engineering cytochrome P450 BM3 and alkane hydroxylase (AlkB) for alkane oxidations; (3) renewable energy catalysis: catalytic hydrogen evolution and mechanistic studies, encapsulated tricopper cluster for methane to methanol conversion, and novel catalysts for valorization of lignocellulosic biomass feedstocks.

Chemical Biology: New Material and Method towards Sustainable Health

Chemical biology division focus on the development of new material and methodology to explore the structure and function of macromolecules associated with cellular function or human diseases. The research activities are directed to unravel the underlying pathological mechanism and to derive new diagnostic and therapeutic strategies. Research topics in this division cover (1) development of smart biomaterials based on novel molecular principles; (2) chemical probe and advanced techniques in bio-imaging and structural biology; (3) drug discovery in cancer, infectious and neurodegenerative diseases; (4) development of structural biology techniques for infectious diseases, and (5) development of advanced proteomics strategies for biomarker discovery. The major achievements from the chemical biology group include the establishment of multiplexed quantitative strategy for membrane proteomics and post-translational modification for delineating disease mechanism and mining therapeutic targets discovery of amyloid fibrils induced from the TDP-43 in the Amyotrophic Lateral Sclerosis (ALS), and development of a photocontrollable probe to induce TDP-43 aggregates in live cells, mapping of the RNA exit channel on transcribing RNA polymerase II by FRET analysis, development of nano velcro chip to capture circulating tumor cells for liquid biopsy, construction of a near-infrared- activatable enzyme platform using an up-conversion nanoparticle to remotely trigger intracellular signal transduction.

以參茚并苯衍生物做為鈣鈦礦太陽能電池中氧化鎳與鈣鈦礦之介面層材料

Small 2024, 20, 2310939.
Rajarathinam Ramanujam, Hsiang-Lin Hsu, Zhong-En Shi, Chien-Yu Lung, Chin-Han Lee, Gebremariam Zebene Wubie
Chih-Ping Chen,* Shih-Sheng Sun*

在本研究中，我們設計了兩種以參茚并苯為結構核心，並於結構外圍連結具有推電子能力的胺基團所形成之TRUX-D1 和 TRUX-D2分子。這些具有C₃對稱星形架構的分子，係經由 Buchwald-Hartwig 之 C-N 偶聯反應所合成。這些 TRUX-D 分子展現了調整 NiO_x 能距、增強電荷傳輸特性以及改善熱穩定性的能力。具體來說，透過 TRUX-D 分子中的氮原子與 Pb(II) 空位的配位， NiO_x 和鈣鈦礦層間的缺陷被有效地鈍化。因此，具有 ITO/NiO_x/TRUX-D1/MAPbI₃/PCBM/BCP/Ag 元件組態的p-i-n鈣鈦礦太陽能電池，可達到20.8%的最高功率轉換效率，其效率遠高於未使用TRUX-D界面層材料的對照元件。此外，以 TRUX-D1 為基底的元件展現了顯著的長期穩定性，在手套箱中放置210天後，仍能保持98%的初始效率，而在25 °C及相對濕度超過40%的空氣條件下放置80天後，未封裝元件仍能保持75.5%的初始效率。儘管在封裝與未封裝條件下達到長期穩定性仍是鈣鈦礦太陽能電池面臨的重大挑戰，我們的研究成果顯示基於 MAPbI₃ 的 p-i-n 型鈣鈦礦太陽能電池已達到迄今所報告的最高效率之一。

In this study, we designed two truxene-based derivatives, TRUX-D1 and TRUX-D2, featuring electron-donating amino groups attached to their peripheral positions. The molecules, with a C₃ symmetric star-shaped molecular framework, were synthesized using Buchwald-Hartwig C-N coupling reactions. These TRUX-D molecules demonstrated the ability to tune the energy level of NiO_x, enhance charge transport properties, and improve thermal stability. Specifically, the NiO_x and perovskite defects were effectively passivated through the coordination of the nitrogen atoms in the TRUX-D molecules to Pb(II) vacancies. As a result, MAPbI₃-based p-i-n devices with a configuration of ITO/NiO_x/TRUX-D1/MAPbI₃/PCBM/BCP/Ag achieved a champion power conversion efficiency (PCE) of 20.8%, significantly higher than the 17.2% PCE observed in the control device without the interfacial layer material. Moreover, TRUX-D1-based devices exhibited remarkable long-term stability, retaining 98% of the initial PCE after 210 days in a glove box and 75.5% of the initial PCE after 80 days under ambient air condition with humidity over 40% at 25 °C for the unencapsulated device. While achieving long-term stability under encapsulated and unencapsulated conditions remains a significant challenge for PSCs, these results represent one of the highest reported PCEs for MAPbI₃-based p-i-n type PSCs to date.