政府計畫（GRB），建議「依年度遞減排序」，以查看最新的研究方向。
| 畢業學年度 | 論文標題 | 連結 | 學位 | 畢業時長(年) |
|---|---|---|---|---|
| 關鍵字 | 口試日期 | |||
| 114 | 二硫化鉬與... 二硫化鉬與二硫化鎢二維材料於磁性與光電領域之增強：藉由第一原理計算之探索性研究 (Exploratory First-principles Study on MoS2 and WS2 2D Materials for Enhanced Magnetism and Optoelectronics) | NTHU | 博 | 無學號 |
. .... | ||||
| 114 | 基於第一性... 基於第一性原理的鐵電碳矽二氫化物層間在二維TMD用於穿隧場效電晶體 (DFT study of Ferroelectric CSiH₂ Interlayer and 2D TMD Bilayer for Tunneling Field-Effect Transistor) | NTHU | 碩 | 無學號 |
. .... | ||||
| 114 | 摻氮或硼於... 摻氮或硼於石墨烯負載鐵與釕單原子及團簇催化劑於氨合成的策略性設計之密度泛函理論研究 (Strategic Design of N and B doped Graphene-Supported Fe and Ru Single Atom and Cluster Catalysts for Ammonia Production: A DFT Study) | NTHU NDLTD | 碩 | 2.47 |
. .... | 2026-01-19 | |||
| 114 | 利用密度泛... 利用密度泛函理論研究用於探討鐵基催化劑中熱催化氮氣活化於氨合成中之機制及描述符理解 (Understanding of Mechanisms and Descriptors via Fe-based Catalysts in Thermal Nitrogen Activation for Ammonia Production: A DFT Study) | NTHU NDLTD | 碩 | 2.40 |
. .... | 2025-12-24 | |||
| 114 | 能源材料的... 能源材料的多尺度模擬 (Mulsticale Modelling of Energy Materials) | NTHU NDLTD | 博 | 3.32 |
. .... | 2025-11-22 | |||
| 114 | 探討鈦和銥... 探討鈦和銥修飾金屬有機框架儲氫效能:密度泛函理論、第一原理分子動力學及巨正則蒙地卡羅研究 (Investigation of Hydrogen Storage Performance on Ti- and Ir-Decorated Metal Organic Frameworks: A Combined DFT, AIMD, and GCMC Study) | NTHU NDLTD | 碩 | 2.23 |
. .... | 2025-10-22 | |||
| 114 | 探討釕基催... 探討釕基催化劑活性位點上氮氣解離活化反應性之密度泛函理論研究 (Understanding Nitrogen Dissociation Activation Reactivity at Active Sites on Ru Catalysts : A Density Functional Theory) | NTHU NDLTD | 碩 | 2.06 |
. .... | 2025-08-20 | |||
| 114 | 釕奈米粒子... 釕奈米粒子上氮氣解離活性位點之探索：深度勢能分子動力學及密度泛函理論研究 (Investigation of active site for N2 dissociation on Ru nanoparticle: A Deep Potential Molecular Dynamic & DFT study) | NTHU NDLTD | 碩 | 2.06 |
. .... | 2025-08-20 | |||
| 113 | 奈米雙晶銅... 奈米雙晶銅線之製備鑑定與模擬分析 (Nanotwinned copper nanowires: synthesis, characterization and modeling) | NTHU NDLTD | 博 | 5.98 |
雙晶 (Twin)、密度泛函理論 (Density Functional Theory)、分子動力學 (Molecular dynamics)、電遷移 (Electromigration)、熱穩定性 (Thermal stability)、氧化行為(Oxidation behavior) 雙晶 (T... | 2025-07-22 | |||
| 113 | 透過AIC... 透過AICSR優化沸石咪唑酯骨架ZIF-67製程參數及探討摻銥對儲氫性的影響 (Optimization of Synthesis Parameters for Zeolitic Imidazolate Framework ZIF-67 via AICSR and the Effect of Iridium Doping on Hydrogen Storage) | NTHU NDLTD | 碩 | 1.98 |
. .... | 2025-07-22 | |||
| 113 | 氧化鎂之 ... 氧化鎂之 (111) 晶面負載釕基催化劑於氨合成與分解反應之應用：藉由密度泛函理論 (DFT) 計算之機制探討 (MgO(111)-supported Ruthenium Catalyst for Ammonia Production and Decomposition: Mechanistic Understanding via DFT Calculations) | NTHU NDLTD | 博 | 2.92 |
. .... | 2025-07-01 | |||
| 113 | 探索二維材... 探索二維材料基異質中的分子接點以增強光電應用 (Exploring Molecular Junctions in 2D Material-Based Heterostructures for Enhanced Optoelectronic Applications) | NTHU NDLTD | 博 | 6.83 |
. .... | 2025-05-28 | |||
| 113 | 了解釕金屬... 了解釕金屬活性位點於不同氫覆蓋率下對氮氣活化的影響：密度泛函理論研究 (Understanding of Nitrogen Activation Affected by Hydrogen Coverage at the Ru Active Site： A DFT Study) | NTHU NDLTD | 碩 | 2.46 |
釕基觸媒(Ru-basedCatalyst)、B5 活性位點(B5 Active Site)、產氨催化(Ammonia Production)、氫中毒(Hydrogen Poisoning)、密度泛函理論(Density Functional Theory) 釕基觸媒(... | 2025-01-16 | |||
| 113 | 釕觸媒於奈... 釕觸媒於奈米碳管載體之氫氣及氮氣活化機制探討：密度泛函理論研究 (Mechanism Understanding of Hydrogen and Nitrogen Activation on Carbon Nanotube Supported Ru Catalysts: A DFT Study) | NTHU NDLTD | 碩 | 2.10 |
產氨反應(Ammonia Synthesis)、密度泛函理論(DFT)、釕觸媒(Ru catalyst)、奈米碳管(CNT)、氮解離(Nitrogen dissociation) 產氨反應(... | 2024-09-04 | |||
| 112 | 利用AIC... 利用AICSR計算儲氫碳材ACS25活化及摻雜Ni之最佳參數 (Hydrogen storage carbon material ACS25 activation and Ni doping optimization based on AICSR) | NTHU NDLTD | 碩 | 2.00 |
奈米碳材(Carbon material)、氫氣儲存(Hydrogen storage)、高比表面積(AI-CSR)、氫溢流效應(High specific surface area) 奈米碳材(... | 2024-07-29 | |||
| 112 | 釕金屬Sl... 釕金屬Slab與奈米粒子表面不同氫覆蓋之密度泛函理論及第一原理原子熱力學研究 (Investigation of Various Hydrogen Coverage on Ruthenium Slab and Nanoparticle Surfaces: A DFT and aiAT Study) | NTHU NDLTD | 碩 | 1.97 |
釕(Ruthenium)、Slab Model(Slab Model)、奈米粒子模型(Nanoparticle Model)、氫覆蓋率(Hydrogen Coverage)、第一原理原子熱力學研究(First-Principles Atomistic Thermodynamics Study)、密度泛函理論(Density Functional Theory) 釕(Rut... | 2024-07-19 | |||
| 112 | 以第一原理... 以第一原理分析鈉離子電池層狀氧化物陰極材料之穩定機制 (First-Principle Insight of Stabilization Mechanism in Layered Oxide Cathode Material for Sodium-Ion Batteries) | NTHU NDLTD | 碩 | 1.96 |
第一原理(First-Principle)、鈉離子電池(Sodium-Ion-Batteries)、層狀氧化物(Layered-Oxide)、密度泛函理論(Density-Functional-Theory)、陰離子氧化還原活性(Anionic-Redox-Activity) 第一原理(... | 2024-07-17 | |||
| 111 | 探討鐵基催... 探討鐵基催化劑的活性位點及載體效應於產氨反應之影響 (Mechanistic Understanding of Active Sites and Support Effects in Fe-based Catalysts for NH3 Production) | NTHU NDLTD | 碩 | 1.93 |
氨合成(NH3 Synthesis)、鐵觸媒(Fe catalysts)、活性位點(Active Sites)、載體效應(Support Effect)、密度泛函理論(Density Functional Theory) 氨合成(N... | 2023-07-04 | |||
| 111 | 藉釕金屬修... 藉釕金屬修飾過渡金屬作為具經濟效益之催化劑研究氮氣活化機制:密度泛函理論研究 (Understanding of N2 Activation Mechanisms Using Cost-Effective Ru-Modified Catalysts: A DFT Study) | NTHU NDLTD | 碩 | 1.93 |
氨催化(Ammonia Catalysis)、釕基催化劑(Ru-based Catalysts)、密度泛函理論(DFT Study) 氨催化(A... | 2023-07-04 | |||
| 111 | 碳負載金屬... 碳負載金屬催化劑上氫吸附的第一性原理研究 (First Principles Investigations of Hydrogen Adsorption on Carbon-Supported Metal Catalysts) | NTHU NDLTD | 博 | 5.91 |
密度泛函理论(Density functional theory)、储氢(Hydrogen storage)、氢气溢出(Hydrogen spillover)、碳基材料(carbon-based material) 密度泛函理... | 2023-06-28 | |||
| 111 | 利⽤多尺度... 利⽤多尺度模擬探討先進且穩定的鈣鈦礦材料結構與形貌 (Structure and morphology of advanced stable perovskite material from multiscale molecular simulation) | NTHU NDLTD | 博 | 8.44 |
二維鈣鈦礦(2D perovskite)、無鉛無機鈣鈦礦(inorganic lead-free perovskite)、第一原理計算(first principle calculations)、蒙地卡羅法(Monte Carlo method)、機器學習SNAP勢能函數(machine learning SNAP potential) 二維鈣鈦礦... | 2023-01-04 | |||
| 110 | 利用磁控共... 利用磁控共濺鍍以及第一原理模擬計算探討銀銅合金薄膜性質與微結構 (Investigation on the Properties and Microstructures of Ag-Cu Alloy Thin Films by Magnetron Co-sputtering and First-principles Calculations) | NTHU NDLTD | 碩 | 1.99 |
磁控共濺鍍(Magnetron co-sputtering)、第一原理模擬計算(First-principles calculations)、銀銅合金(Ag-Cu alloy)、薄膜(Thin film)、奈米雙晶(Nanotwin)、疊差能(Stacking fault energy) 磁控共濺鍍... | 2022-07-29 | |||
| 110 | 運用密度泛... 運用密度泛函理論探討儲氫材料之設計：非晶碳之個案研究 (The Investigation of Hydrogen Storage Material Design by Density Functional Theory: A Case Study of Amorphous Carbon) | NTHU NDLTD | 碩 | 1.98 |
密度泛函理論(Density Functional Theory)、儲氫(Hydrogen Storage)、材料設計(Material Design)、非晶碳(Amorphous Carbon) 密度泛函理... | 2022-07-25 | |||
| 110 | 母血有核胎... 母血有核胎兒紅血球高純度分選基於微流體式細胞自組裝陣列晶片 (High Purity Fetal Nucleated Red Blood Cells Isolation Based On Self-assemble-cells-array ( SACA ) Chip) | NTHU NDLTD | 碩 | 1.98 |
分選(isolation)、胎兒有核紅血球(fetal nucleated red blood cells)、微流體(microfluidics)、細胞自組裝趁列晶片(Self-assemble-cells-array ( SACA ) Chip)、自動化螢光影像掃瞄系統(Automated Fluorescence Image Scanning System) 分選(is... | 2022-07-22 | |||
| 110 | 密度泛函理... 密度泛函理論計算探討氮氣活化機制於釕觸媒系統 (Density Functional Theory Understanding of Nitrogen Activation Mechanisms by Ru Catalysts) | NTHU NDLTD | 碩(提早入學) | 2.43 |
密度泛函理論(DFT)、氮氣活化(Nitrogen activation)、釕(Ru)、B5活性位點(B5 active site)、氧化鎂(111)(MgO(111))、金屬-載體相互作用(Metal -Support interaction)、氧溢流機制(oxygen spillover) 密度泛函理... | 2022-07-05 | |||
| 109 | 摻雜鐵以及... 摻雜鐵以及氮化對於PrCoO3 鈣鈦礦催化劑應用於析氧反應影響研究 (The Effects of Fe-doping and Nitride Treatment on Oxygen Evolution Reaction by PrCoO3 Perovskite Catalysts) | NTHU NDLTD | 碩 | 2.07 |
過渡金屬鈣鈦礦氧化物(Perovskite Transition-Metal Oxides)、鈣鈦礦催化劑(Perovskite Catalysts)、電催化水分解(Electrocatalyst)、X 光分析技術(X-ray techniques.) 過渡金屬鈣... | 2020-08-26 | |||
| 108 | 利用密度泛... 利用密度泛函理論研究釕/氧化鎂催化劑之 氫活化機制 (Density Functional Theory (DFT) Investigation of Hydrogen Activation on Ru/MgO Catalysts) | NTHU NDLTD | 碩 | 2.00 |
氫溢流機制(HydrogenSpillover)、密度泛函理論(DFT)、釕(Ru)、氧化鎂(MgO)、氫吸附(HydrogenAdsorption)、氫解離(HydrogenDissociation)、強金屬載體作用力(StrongMetal-SupportInteraction)、氧溢流機制(OxygenSpillover) 氫溢流機制... | 2020-07-29 | |||
| 108 | 以賈凡尼置... 以賈凡尼置換反應製備鍍銀銅粉於導電膠之應用 (Manufacturing of silver-coated copper flake by Galvanic replacement for conductive paste application) | NTHU NDLTD | 碩 | 1.99 |
導電膠(Conductive paste)、賈凡尼置換(Galvanic replacement)、鍍銀銅粉(Silver-coated copper) 導電膠(C... | 2020-07-28 | |||
| 108 | 通過手性肽... 通過手性肽分子結的自旋輸運之第一原理計算 (First-principles calculations of spin transport in chiral peptide Molecular Junctions) | NTHU NDLTD | 碩 | 2.97 |
自旋電子學(Spintronics)、結磁阻(Junction Magnetoresistance)、手性誘導自旋選擇性(Chiral-induced Spin Selectivity)、第一原理(First-principle)、非平衡格林函數(nonequilibrium Green’s function) 自旋電子學... | 2020-07-20 | |||
| 107 | 密度泛函理... 密度泛函理論研究氫溢流機制利用鉑/單空位缺陷石墨烯應用於儲氫系統 (DFT study of hydrogen spillover mechanism on Pt/Vacancy Graphene applied to hydrogen storage) | NTHU NDLTD | 碩 | 1.75 |
第一原理計算(Hydrogen spillover mechanism)、單空位缺陷石墨烯(DFT)、儲氫(Vacancy Graphene)、氫溢流(Hydrogen adsorption)、密度泛函理論(undefined)、氫吸附(undefined) 第一原理計... | 2019-04-29 | |||
| 106 | 密度泛函理... 密度泛函理論研究氫溢流機制利用鉑/石墨烯和鉑/二氧化鈦催化劑應用於儲氫系統 (Density functional theory study of hydrogen spillover mechanism on Pt/Graphene & Pt/TiO2 catalysts applied to hydrogen storage) | NTHU NDLTD | 碩 | 2.00 |
氫溢流機制(Hydrogen spillover mechanism)、密度泛函理論(DFT)、鉑(Pt)、石墨烯(Graphene)、銳鈦礦二氧化鈦(101)(TiO2)、氫吸附(Hydrogen adsorption) 氫溢流機制... | 2018-07-30 | |||
| 105 | 利用密度泛... 利用密度泛函理論研究鉛原子在銅(110)金屬面上之交換作用 (Interaction of Pb atoms on Cu(110) metal surface: A DFT study) | NTHU NDLTD | 碩 | 2.00 |
密度泛函理論(Density Functional Theory)、銅表面(Cu surface)、鉛原子(Pb atom)、取代(adsorption)、吸附(substitution) 密度泛函理... | 2017-07-31 | |||