隨著工業化的迅速發展，水資源及能源短缺已成為一個日益嚴峻的全球性問題，對人類生存和國際關係構成了巨大挑戰。能源供應取決於水，供水取決於能源，如何以兼具環保、無汙染的方式，建立高效率之汙水淨化流程，並將此淨水用作於乾淨能源的產出逐漸受到重視。本研究系統性地研究了二硫化鉬奈米花的壓電催化與物理吸附的偕同效應。二硫化鉬奈米花因其獨特的層狀結構和多元相組成，使其在奈米材料和催化領域中備受關注，並被廣泛應用於壓電電催化系統之中；然而因二硫化鉬奈米花具備多元相組成以及高的比表面積，使其對於有機汙染物具有壓電催化降解能力的同時亦具備極高的物理吸附能力，導致二硫化鉬奈米花對於汙水淨化之成效評估上的困難及誤判的產生。本文針對二硫化鉬奈米花結構，透過精準調控二硫化鉬之相組成比例，驗證具三角晶格結構的1T相二硫化鉬對有機染料羅丹明B表現出極高的物理吸附特性，此物理吸附現象可透過對溶液酸鹼值的調控而改變；對於具六角晶格結構的2H相二硫化鉬而言，在外加應力作用下能夠透過壓電催化機制，產生顯著的壓電電荷，進而促進催化反應的進行，同時，其高比表面積和表面靜電特性亦提供優異的吸附能力，使其能有效捕捉和固定反應物，進一步提高催化效率。本研究透過將二硫化鉬奈米花與碳布基材複合，透過以具高比表面積的碳布纖維作為基材，增加其表面積與活性位，在水流機械力作用之下，透過壓電效應生成高氧化性的活性氧物並有效分解有機汙染物分子，成功於五個降解循環內分解總量超過2.5公升之羅丹明B有機染料，且整個處理過程中不會有二次汙染物的排放或產出，驗證二硫化鉬碳布複合觸媒之淨零排放以及環境永續特性。在可再生能源領域，氫氣作為一種乾淨、高效的能源載體，受到廣泛的研究與重視，為了將汙水回收處理得到的淨水，經由壓電觸媒作用，實現持續性的氫氣產出，本研究將壓電相二硫化鉬與具高導電性之過渡金屬碳化物Mo2CTx結合，形成MoS2@Mo2CTx異質結構壓-光電觸媒，透過收穫超音波機械力與光能，此異質結構觸媒之產氫量可於8小時內達到9019.4 μmol･g-1，為單純壓電催化產氫量的1.62倍。為了使此異質結構觸媒更具實際應用上之實用性，本研究透過水流機械力作為驅動壓電觸媒之能量來源，在完全黑暗環境下，可於24小時內達到454.1 μmol･g-1的氫氣產出量，本研究亦利用有限元素法分析，模擬透過水流機械力作用下，各種水壩及河流、海洋潮汐等水力來源預期可得到之氫氣產出量，本研究利用二硫化鉬的壓電特性和Mo2CTx的高導電特性，透過異質結構之壓電催化特性，實現了在完全黑暗環境中，單純藉由水流作用力實現水分解產氫反應，對大規模氫氣生產提供了一種新穎且可行的方案，在全球尋求低碳排放、乾淨能源解決方案的背景下，具有重要的實際應用價值。

With the rapid industrial development, the shortage of clean water and energy resources has become an increasingly severe global issue, posing significant challenges to human survival and international relations. The energy supply relies on water resources, and the water supply depends on energy as well. Consequently, the demand for environmentally friendly, pollution-free, and efficient wastewater purification processes has surged in recent years. The ultimate goal is to not only purify the wastewater but also repurpose it for clean energy production. With this aim, this research first investigates the synergistic effects of piezocatalysis and physical adsorption in molybdenum disulfide (MoS2) nanoflowers systematically. Due to their unique layered structure and multi-phase composition, MoS2 nanoflowers (NFs) have attracted considerable attention in research fields of nanomaterials and catalysis and are widely applied in piezoelectric catalysis systems. However, the multi-phase composition and high specific surface area of MoS2 NFs grant them not only piezocatalytic degradation capabilities for organic pollutants but also significant physical adsorption capacity. This dual functionality complicates the accurate assessment of their effectiveness in wastewater purification, leading to potential misjudgments. In this study, we focus on the lattice structures of MoS2 NFs and validate the high physical adsorption properties of the 1T phase MoS2 with a trigonal lattice structure toward the organic dye Rhodamine B (RhB). This physical adsorption phenomenon can be modulated by adjusting the pH environment of the solution. For the 2H phase MoS2 NFs, which possess a hexagonal lattice structure, significant piezoelectric charges can be generated under the applied external mechanical force through piezocatalysis, thereby promoting the catalytic reaction activities. Simultaneously, the high specific surface area and surface electrostatic properties provide excellent adsorption capabilities, effectively capturing the reactants, and further enhancing the catalytic efficiency. This study successfully combines the MoS2 NFs with carbon cloth substrates, utilizing carbon cloth fibers with a high specific surface area as the base material to increase the overall surface area and active sites. Under the influence of mechanical force from water flow, reactive oxygen species are produced through the piezocatalytic effect, effectively decomposing the organic pollutant molecules. In this work, over 2.5 liters of RhB dye is completely degraded within five consecutive cycles, without emitting any secondary pollutants throughout the process, demonstrating the net-zero emissions and environmental sustainability of the MoS2-carbon cloth composite catalyst. In the research field of renewable energy, hydrogen gas, as a clean and efficient energy carrier, has been widely recognized and studied. To achieve sustainable hydrogen production using purified water recovered from the wastewater treatment via piezocatalysis, this study combines the piezoelectric 2H phase MoS2 NFs with the highly conductive transition metal carbide Mo2CTx to form a MoS2@Mo2CTx heterostructure piezo-photocatalyst. By harvesting ultrasound mechanical force energy and solar energy, the hydrogen production of the heterostructure catalyst reaches 9019.4 μmol･g-1 within 8 hours, which is 1.62 times higher than that of piezocatalysis. To enhance the practical applicability of the composite catalyst, we utilize water flow as the energy source to drive the piezocatalyst, achieving a hydrogen production of 454.1 μmol･g-1 within 24 hours under a completely dark environment. Finite element method (FEM) is also applied to simulate and predict the potential hydrogen production abilities from various hydraulic sources such as dams, rivers, and ocean tides under the influence of water flow. This research offers a novel and feasible solution for large-scale hydrogen production, holding significant practical application value in the global pursuit of low-carbon emission and clean energy solutions.

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