보고서 정보
주관연구기관 |
서울대학교 Seoul National University |
연구책임자 |
주영창
|
참여연구자 |
오지훈
,
한승우
,
윤명한
,
하헌필
,
이현주
,
차석원
|
보고서유형 | 1단계보고서 |
발행국가 | 대한민국 |
언어 |
한국어
|
발행년월 | 2017-03 |
과제시작연도 |
2016 |
주관부처 |
미래창조과학부 Ministry of Science, ICT and Future Planning |
등록번호 |
TRKO201800005983 |
과제고유번호 |
1711045814 |
사업명 |
미래소재디스커버리지원 |
DB 구축일자 |
2018-05-12
|
키워드 |
나노 메탈러지.공정 설계.계산과학.준안정상.고선택성.Nano-Metallurgy.Process design.Computation.Metastable phase.High selectivity.
|
DOI |
https://doi.org/10.23000/TRKO201800005983 |
초록
▼
■ 재료 설계: 나노메탈러지 기반 열역학적, 속도론적 계산 방법론으로 활성 소재가 담체 위에서의 활성을 최대로 유지할 수 있는 조합을 디자인하고 나노메탈러지 핵심원리를 환경소재에 적용하기 위한 기초연구 수행.
■ 공정 설계: 환경 기능 소재의 양산화 구현을 위해 계산과학 기반의 나노 스케일 엘링검 도표 플랫폼 구현 및 이를 통한 나노 소재의 제어 초기 기술 개발.
■ 환경소재 응용: 다중 산화수를 갖는 산화물, 황화물 등의 본 과제 핵심원리가 적용된 복합차원 구조 및 다중상 소재의 초기 구현 및 연구 가능성 검증.
■ 재료 설계: 나노메탈러지 기반 열역학적, 속도론적 계산 방법론으로 활성 소재가 담체 위에서의 활성을 최대로 유지할 수 있는 조합을 디자인하고 나노메탈러지 핵심원리를 환경소재에 적용하기 위한 기초연구 수행.
■ 공정 설계: 환경 기능 소재의 양산화 구현을 위해 계산과학 기반의 나노 스케일 엘링검 도표 플랫폼 구현 및 이를 통한 나노 소재의 제어 초기 기술 개발.
■ 환경소재 응용: 다중 산화수를 갖는 산화물, 황화물 등의 본 과제 핵심원리가 적용된 복합차원 구조 및 다중상 소재의 초기 구현 및 연구 가능성 검증.
■ 연구단 전략 수립: 기획연구 기간 동안 본 과제의 체계적인 연구 시스템 수립을 위한 세부 연구 주제 선정 및 이에 따른 새로운 추진체계 논의.
■ 원천 기술 확보를 위한 추진계획 수립: 복합차원 구조 및 다중상 환경소재 및 전산 나노 메탈러지와 관련된 공정 측면에서의 원천특허 확보 필요성 파악 및 이를 통한 적용 분야별 최적화 수행. 응용측면에서 개량특허를 선점하여 종합적인 특허 포트폴리오를 구축한 후 라이센스 및 기술이전 추진 예정.
(출처 : 보고서 요약서 3P)
Abstract
▼
IV. Research results
■ Applicable field of multi-dimensional and multi-phase programmed material groups developed in this project were chose based on market formation time, scale and driving temperature difficulty. As a result, we decided to carry out the research in the order of denitration cata
IV. Research results
■ Applicable field of multi-dimensional and multi-phase programmed material groups developed in this project were chose based on market formation time, scale and driving temperature difficulty. As a result, we decided to carry out the research in the order of denitration catalyst, hydrogen peroxide producing catalyst, water decomposition catalyst, and carbon dioxide reducing catalyst.
■ During the research, we divided the topics to study systematically and established a new promotion system. Especially, in this pre-study, we established another promotion system in consideration of the characteristics and the research strategies required for each detailed subject for the development of the actual environment field applicable material. We divided research into two sub-tasks. One is 'Nanomaterial-based material and process design' and the other is 'application and systematization of environmental functional material'.
1. Patent Research Results
■ (Denitration catalyst) We found several key patents and most of them re under registration or examination. Fortunately, between them and us, there is a difference in specific problem-solving methods and we think it is highly possible to secure source / core IP for new materials through independent R & D. It is necessary to carry out research as soon as we can.
■ (Methane reforming catalyst) Although the principle of problem solving is somewhat similar, there is a clear difference in specific problem solving methods, such as no consideration of catalyst particle size. We think it is highly possible to secure source / core IP for new materials through independent R & D. It is necessary to carry out research as soon as we can.
■ (Water splitting / CO2 reduction catalyst) We found many key patents and most of them are under registration or examination. Fortunately, between them and us, there is a difference in specific problem-solving methods and we think it is highly possible to secure source / core IP for new materials through independent R & D. It is necessary to carry out research as soon as we can.
2. Research Results
■ Structure control of nanomaterials through nanomatallurgy: Through the degree of carbon burning, we could control the growth of metal sulfide in carbon nanofibers. We confirmed that as carbon burns, the metal sulfide grows to a larger number of layers, and successfully synthesized metal sulfide nanotubes. We also measured the catalyst performance of water decomposition varying the degree of carbon burning. This is the world's first result of theoretical prediction of structure through phase diagram. It succeeded in designing materials based on thermodynamics and applying them to actual processes, leading to nano-science to the stage of process design.
■ Phase control and design of reaction path through nanometallurgy: Based on the thermodynamics and reaction kinetics, Gibbs free energy is calculated according to the degree of oxidation of copper, and it is applied to actual process to control oxygen partial pressure. By controlling the heat treatment reaction pathway, pure copper (I) oxide nanofiber was obtained. Therefore, it was possible to convert carbon dioxide into methanol with high photoelectrochemical efficiency.
■ Structure and phase control of nanomaterials through nanometallurgy: The selective oxidation reaction according to the oxidation tendency of metal ions was induced by the control of partial pressure of gas in the Ellingham diagram. In particular, it is possible to control the structure through controlling the reaction kinetics because the rate of selective redox reaction can be controlled by the partial pressure of gas in certain range. Through this research, it was found that various structures and phases can be derived from the same raw materials through the control of thermodynamic and kinetic parameter.
■ Discussion for the simulation platform of predicting nano phase equilibrium: We combined the multi-scale simulation method with the genetic algorithm to develop simulation platform for the prediction of nano-phase equilibrium with FactsageTM developers, which is a thermodynamic calculation program, during the planning research project period. If the nanosized surface effects are added to the thermodynamic database, a program (tentatively called SNanoTherm) that calculate nano thermodynamics and kinetics models can be developed.
■ Development of denitrification catalysts with low temperature and endotoxin characteristics: When the acid sites and redox characteristics were improved by controlling the position of metal oxide, composition, and structure of materials. During the 3 months of pre-planning research, the catalysts developed by our team showed superior characteristics to those of existing world class catalysts, demonstrating that the catalyst development direction of this project is valid.
■ Enhancement of activity through defect control of support: We predicted that Pt atoms are thermodynamically stable in the N vacancies of TiN through DFT calculation. Based on this, the Pt nanomaterial on the TiN support was successfully synthesized. This is a good example of experimental performance of material structure prediction by simulation and improvement of catalyst performance through continuous co-working with simulation researchers.
■ High-throughput synthesis method for metal oxide : A large area coating method of metal oxide based on solution process was developed for rapid experimental screening of catalysts. And we have developed an ultra thin film patterning process based on solution process to develop a platform for rapid screening of various predictive synthetic active catalyst groups. In addition, a schematic diagram of the metal oxide insulator library according to various conditions/variables is presented.
(출처 : 영문 요약서 9P)
목차 Contents
- 표지 ... 1
- 제출문 ... 2
- 보고서 요약서 ... 3
- 요약문 ... 4
- 영문 요약서 ... 9
- Contents ... 16
- 목차 ... 17
- 제 1 장 先기획연구 개요 ... 18
- 1. 先기획연구의 목적, 필요성 및 범위 ... 18
- 2. 대상 소재기술의 정의 및 개념 ... 31
- 제 2 장 기술개발 현황 및 조사․분석 ... 37
- 1. 국내․외 기술개발 현황 ... 37
- 2. 선행 연구 조사․분석 및 시사점 ... 45
- 제 3 장 기술개발 목표 및 내용 ... 101
- 1. 원천특허 포트폴리오 ... 101
- 2. 연구개발내용 및 범위 ... 106
- 3. 기존 기술과의 차별성 및 원천성 ... 119
- 4. 국가 소재 R&D 전략과의 연계성 및 부합성 ... 124
- 5. 先연구내용 및 결과 ... 128
- 제 4 장 先기획연구 활동 추진 내용 ... 143
- 1. 先기획연구 추진 체계 ... 143
- 2. 先기획연구 방법론 ... 144
- 3. 先기획연구 활동 내용 ... 155
- 제 5 장 기대성과 및 활용 계획 ... 162
- 1. 기대성과 ... 162
- 2. 상용화 예상 분야 ... 163
- 3. 경제성 분석 ... 164
- 제 6 장 참고문헌 ... 167
- 끝페이지 ... 168
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